[(E)-2-[4-cyano-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazol-5-yl]ethenyl]-dimethyl-azanium

Systemtic Name: [(E)-2-[4-cyano-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazol-5-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-[4-cyano-3-(p-tolylmethylsulfanyl)isothiazol-5-yl]vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[4-cyano-3-[(4-methylphenyl)methylthio]-5-isothiazolyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-[4-cyano-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazol-5-yl]ethenyl]-dimethylazanium Traditional Name: [(E)-2-[4-cyano-3-[(4-methylbenzyl)thio]isothiazol-5-yl]vinyl]-dimethyl-ammonium Formula: C16H18N3S2+ MolecularWeight: 316.46422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)C=C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)/C=C/[NH+](C)C

InChI

InChI=1S/C16H17N3S2/c1-12-4-6-13(7-5-12)11-20-16-14(10-17)15(21-18-16)8-9-19(2)3/h4-9H,11H2,1-3H3/p+1/b9-8+