[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl (2S)-2-cyano-3-oxidanylidene-butanimidothioate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl (2S)-2-cyano-3-oxidanylidene-butanimidothioate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl (2S)-2-cyano-3-oxo-butanimidothioate CAS Name: (2S)-2-cyano-3-oxobutanimidothioic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl (2S)-2-cyano-3-oxobutanimidothioate Traditional Name: (2S)-2-cyano-3-keto-thiobutyrimidic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C15H12ClN3OS2 MolecularWeight: 349.85828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C(=N)SCC1=CSC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)[C@H](C#N)C(=N)SCC1=CSC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClN3OS2/c1-9(20)13(6-17)14(18)21-7-12-8-22-15(19-12)10-2-4-11(16)5-3-10/h2-5,8,13,18H,7H2,1H3/t13-/m0/s1