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

Systemtic Name: (5Z)-3-ethyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5Z)-3-ethyl-2-methylsulfanyl-5-(3-methylthiazol-2-ylidene)thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5Z)-3-ethyl-5-(3-methyl-2-thiazolylidene)-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5Z)-3-ethyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5Z)-3-ethyl-5-(3-methyl-4-thiazolin-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C17H20N2O4S4 MolecularWeight: 444.6117

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C=CS2)C)C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C\2/N(C=CS2)C)/C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13N2OS3.C7H8O3S/c1-4-12-8(13)7(16-10(12)14-3)9-11(2)5-6-15-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-6H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b9-7-;