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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(CC2=CC=C(C=C2)C)C#N)C3CC3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](CC2=CC=C(C=C2)C)C#N)C3CC3

InChI

InChI=1S/C17H20N4S/c1-3-21-16(14-8-9-14)19-20-17(21)22-15(11-18)10-13-6-4-12(2)5-7-13/h4-7,14-15H,3,8-10H2,1-2H3/t15-/m1/s1