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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(5-phenyl-1H-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=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-13-7-9-14(10-8-13)11-16(12-19)23-18-20-17(21-22-18)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,20,21,22)/t16-/m1/s1