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

Systemtic Name: 3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H21N5S MolecularWeight: 411.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5S/c1-17(2)21-10-3-4-11-22(21)29-23(20-9-6-12-26-15-20)27-28-24(29)30-16-19-8-5-7-18(13-19)14-25/h3-13,15,17H,16H2,1-2H3