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

Systemtic Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-phenyl-1H-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)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N

InChI

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