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

Systemtic Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(CC2=CC=C(C=C2)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](CC2=CC=C(C=C2)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4S/c1-3-24-19(17-7-5-4-6-8-17)22-23-20(24)25-18(14-21)13-16-11-9-15(2)10-12-16/h4-12,18H,3,13H2,1-2H3/t18-/m1/s1