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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(N2C)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H18N4S/c1-11-3-5-12(6-4-11)9-14(10-17)21-16-19-18-15(20(16)2)13-7-8-13/h3-6,13-14H,7-9H2,1-2H3/t14-/m1/s1