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

Systemtic Name: 4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzenecarbonitrile Openeye Name: 4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile CAS Name: 4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile IUPAC Name: 4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Traditional Name: 4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzonitrile Formula: C16H11N5S MolecularWeight: 305.35704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5S/c17-10-12-6-8-13(9-7-12)11-18-21-15(19-20-16(21)22)14-4-2-1-3-5-14/h1-9,11H,(H,20,22)/b18-11-