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PDBeChem : Molecule Descriptors
Molecule : V3O
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21) |
2 |
InChIKey
|
InChI |
1.06 |
XDADMRNUKRNNLA-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1 |
4 |
SMILES
|
CACTVS |
3.385 |
CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl |
|