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

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

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

InChI

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