[[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-(p-tolylsulfanylmethyl)thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[[(4-methylphenyl)thio]methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[(p-tolylthio)methyl]thiazol-2-yl]amino] ester Formula: C18H18N2O2S3 MolecularWeight: 390.54272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CSC(=N2)NOS(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CSC(=N2)NOS(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O2S3/c1-13-3-7-16(8-4-13)23-11-15-12-24-18(19-15)20-22-25(21)17-9-5-14(2)6-10-17/h3-10,12H,11H2,1-2H3,(H,19,20)