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

Systemtic Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-15-7-9-16(10-8-15)13-19(14-22)26-21-23-20(17-11-12-17)25(24-21)18-5-3-2-4-6-18/h2-10,17,19H,11-13H2,1H3/t19-/m1/s1