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

Systemtic Name: 4-[[4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-isopropyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-isopropyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C20H20N4S/c1-14(2)19-22-23-20(24(19)18-6-4-5-15(3)11-18)25-13-17-9-7-16(12-21)8-10-17/h4-11,14H,13H2,1-3H3