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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4S/c1-3-13-25-20(18-7-5-4-6-8-18)23-24-21(25)26-19(15-22)14-17-11-9-16(2)10-12-17/h3-12,19H,1,13-14H2,2H3/t19-/m1/s1