[(1R)-1-cyano-2-(4-methylphenyl)ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(1R)-1-cyano-2-(4-methylphenyl)ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1R)-1-cyano-2-(p-tolyl)ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(1R)-1-cyano-2-(4-methylphenyl)ethyl] ester IUPAC Name: [(1R)-1-cyano-2-(4-methylphenyl)ethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(1R)-1-cyano-2-(p-tolyl)ethyl] ester Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)OC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)OC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-15-8-10-17(11-9-15)12-19(14-24)28-23(27)21-13-20-16(2)25-26(22(20)29-21)18-6-4-3-5-7-18/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1