4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylquinolin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one

Systemtic Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylquinolin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Openeye Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methyl-2-quinolylidene)-2-methylsulfanyl-thiazol-3-ium-4-one CAS Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methyl-2-quinolinylidene)-2-(methylthio)-4-thiazol-3-iumone IUPAC Name: 4-methylbenzenesulfonate; (5Z)-3-methyl-5-(1-methylquinolin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Traditional Name: (5Z)-3-methyl-5-(1-methyl-2-quinolylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C22H22N2O4S3 MolecularWeight: 474.61608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=C2C(=O)[N+](=C(S2)SC)C)C=CC3=CC=CC=C31

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1/C(=C\2/C(=O)[N+](=C(S2)SC)C)/C=CC3=CC=CC=C31

InChI

InChI=1S/C15H15N2OS2.C7H8O3S/c1-16-11-7-5-4-6-10(11)8-9-12(16)13-14(18)17(2)15(19-3)20-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b13-12-;