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

Systemtic Name: 3-[[4,5-bis(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4,5-bis(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4,5-bis(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4,5-bis(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4,5-bis(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H20N4S MolecularWeight: 396.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H20N4S/c1-17-6-3-10-21(12-17)23-26-27-24(28(23)22-11-4-7-18(2)13-22)29-16-20-9-5-8-19(14-20)15-25/h3-14H,16H2,1-2H3