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

Systemtic Name: (5Z)-3-ethyl-5-(1-methylpyridin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5Z)-3-ethyl-5-(1-methyl-2-pyridylidene)-2-methylsulfanyl-thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5Z)-3-ethyl-5-(1-methyl-2-pyridinylidene)-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5Z)-3-ethyl-5-(1-methylpyridin-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5Z)-3-ethyl-5-(1-methyl-2-pyridylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2C=CC=CN2C)C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C\2/C=CC=CN2C)/C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15N2OS2.C7H8O3S/c1-4-14-11(15)10(17-12(14)16-3)9-7-5-6-8-13(9)2;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-9-;