(5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one chloride

Systemtic Name: (5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one chloride Openeye Name: (5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one chloride CAS Name: (5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-thiazol-3-iumone chloride IUPAC Name: (5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one chloride Traditional Name: (5E)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one chloride Formula: C18H21ClN2OS3 MolecularWeight: 413.02014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C3C(=O)[N+](=C(S3)SC)C4CCCCC4.[Cl-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/3\C(=O)[N+](=C(S3)SC)C4CCCCC4.[Cl-]

InChI

InChI=1S/C18H21N2OS3.ClH/c1-19-13-10-6-7-11-14(13)23-17(19)15-16(21)20(18(22-2)24-15)12-8-4-3-5-9-12;/h6-7,10-12H,3-5,8-9H2,1-2H3;1H/q+1;/p-1/b17-15+;