(5E)-5-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)-2-methylsulfanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-one

Systemtic Name: (5E)-5-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)-2-methylsulfanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-one Openeye Name: (5E)-3-benzyl-5-(3-methyl-4-phenyl-thiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one CAS Name: (5E)-5-(3-methyl-4-phenyl-2-thiazolylidene)-2-(methylthio)-3-(phenylmethyl)-4-thiazol-3-iumone IUPAC Name: (5E)-3-benzyl-5-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-3-benzyl-5-(3-methyl-4-phenyl-4-thiazolin-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one Formula: C21H19N2OS3+ MolecularWeight: 411.58336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CSC1=C2C(=O)[N+](=C(S2)SC)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN\1C(=CS/C1=C/2\C(=O)[N+](=C(S2)SC)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N2OS3/c1-22-17(16-11-7-4-8-12-16)14-26-20(22)18-19(24)23(21(25-2)27-18)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/q+1/b20-18+