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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-14-7-9-15(10-8-14)11-17(12-19)23-18-21-20-13-22(18)16-5-3-2-4-6-16/h2-10,13,17H,11H2,1H3/t17-/m1/s1