[[4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]thiazol-2-yl]amino] ester Formula: C19H18N4O2S3 MolecularWeight: 430.56682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C19H18N4O2S3/c1-12-4-6-16(7-5-12)28(24)25-23-19-22-15(11-27-19)10-26-18-17(9-20)13(2)8-14(3)21-18/h4-8,11H,10H2,1-3H3,(H,22,23)