[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C22H19N5O3S/c1-15(24)18(12-23)19(28)13-30-20(29)14-31-22-26-25-21(16-8-4-2-5-9-16)27(22)17-10-6-3-7-11-17/h2-11,18H,1,13-14,24H2/t18-/m1/s1