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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C23H25N5S/c1-18-10-12-19(13-11-18)16-21(17-24)29-23-26-25-22(27-14-6-3-7-15-27)28(23)20-8-4-2-5-9-20/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3/t21-/m1/s1