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

Systemtic Name: [(E)-2-[4-cyano-3-[(2-methoxycarbonylphenyl)methylsulfanyl]-1,2-thiazol-5-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-[4-cyano-3-[(2-methoxycarbonylphenyl)methylsulfanyl]isothiazol-5-yl]vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[4-cyano-3-[(2-methoxycarbonylphenyl)methylthio]-5-isothiazolyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-[4-cyano-3-[(2-methoxycarbonylphenyl)methylsulfanyl]-1,2-thiazol-5-yl]ethenyl]-dimethylazanium Traditional Name: [(E)-2-[3-[(2-carbomethoxybenzyl)thio]-4-cyano-isothiazol-5-yl]vinyl]-dimethyl-ammonium Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N

Isomeric SMILES

C[NH+](C)/C=C/C1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N

InChI

InChI=1S/C17H17N3O2S2/c1-20(2)9-8-15-14(10-18)16(19-24-15)23-11-12-6-4-5-7-13(12)17(21)22-3/h4-9H,11H2,1-3H3/p+1/b9-8+