(2R)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile

Systemtic Name: (2R)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(CC3=CC=CC=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2S[C@H](CC3=CC=CC=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C23H19N5S/c1-17-7-5-6-10-21(17)28-22(19-11-13-25-14-12-19)26-27-23(28)29-20(16-24)15-18-8-3-2-4-9-18/h2-14,20H,15H2,1H3/t20-/m1/s1