3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H12N4S/c17-10-13-5-4-6-14(9-13)11-21-16-19-18-12-20(16)15-7-2-1-3-8-15/h1-9,12H,11H2