(5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one

Systemtic Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one Openeye Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one CAS Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-imidazol-3-iumone IUPAC Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylimidazol-3-ium-4-one Traditional Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-imidazolin-3-ium-4-one Formula: C16H20N3OS2+ MolecularWeight: 334.4795

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2N(C3=CC=CC=C3S2)C)C(=O)[N+](=C1SC)CC

Isomeric SMILES

CCN1/C(=C/2\N(C3=CC=CC=C3S2)C)/C(=O)[N+](=C1SC)CC

InChI

InChI=1S/C16H20N3OS2/c1-5-18-13(14(20)19(6-2)16(18)21-4)15-17(3)11-9-7-8-10-12(11)22-15/h7-10H,5-6H2,1-4H3/q+1/b15-13+