(5Z)-3-ethyl-5-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate

Systemtic Name: (5Z)-3-ethyl-5-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5Z)-3-ethyl-5-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5Z)-3-ethyl-5-(3-methyl-2-benzo[g][1,3]benzothiazolylidene)-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5Z)-3-ethyl-5-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5Z)-3-ethyl-5-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C25H24N2O4S4 MolecularWeight: 544.72906

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=C(S2)C4=CC=CC=C4C=C3)C)C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C\2/N(C3=C(S2)C4=CC=CC=C4C=C3)C)/C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H17N2OS3.C7H8O3S/c1-4-20-16(21)15(24-18(20)22-3)17-19(2)13-10-9-11-7-5-6-8-12(11)14(13)23-17;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b17-15-;