Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C1S/C(C(=O)N1Cc2ccccc2)=C\c3cccc([N+]([O-])=O)c3O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(cccc1[N+]([O-])=O)/C=C/2SC(=S)N(Cc3ccccc3)C/2=O |
SMILES | CACTVS | 3.341 | Oc1c(cccc1[N+]([O-])=O)C=C2SC(=S)N(Cc3ccccc3)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2C(=O)C(=Cc3cccc(c3O)[N+](=O)[O-])SC2=S |
InChI | InChI | 1.03 | InChI=1S/C17H12N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-9,20H,10H2/b14-9- |
InChIKey | InChI | 1.03 | ZTWBCEZQPRYIGY-ZROIWOOFSA-N |