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

Systemtic Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4S/c1-21-16(15-8-3-2-4-9-15)19-20-17(21)22-12-14-7-5-6-13(10-14)11-18/h2-10H,12H2,1H3