4-[(Z)-[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(phenylmethylthio)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(benzylthio)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C17H13N4O2S2- MolecularWeight: 369.44072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N4O2S2/c22-15(23)14-8-6-12(7-9-14)10-18-21-16(24)19-20-17(21)25-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,24)(H,22,23)/p-1/b18-10-