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

Systemtic Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile CAS Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile IUPAC Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile Traditional Name: 4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile Formula: C17H13N5S MolecularWeight: 319.38362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N5S/c1-12-2-8-15(9-3-12)16-20-21-17(23)22(16)19-11-14-6-4-13(10-18)5-7-14/h2-9,11H,1H3,(H,21,23)/b19-11-