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

Systemtic Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N4S/c1-13-6-3-4-9-16(13)17-20-21-18(22(17)2)23-12-15-8-5-7-14(10-15)11-19/h3-10H,12H2,1-2H3