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

Systemtic Name: 4-[(Z)-[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[(Z)-[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile CAS Name: 4-[(Z)-[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile IUPAC Name: 4-[(Z)-[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile Traditional Name: 4-[(Z)-[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzonitrile Formula: C16H10BrN5S MolecularWeight: 384.2531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN5S/c17-14-3-1-2-13(8-14)15-20-21-16(23)22(15)19-10-12-6-4-11(9-18)5-7-12/h1-8,10H,(H,21,23)/b19-10-