methyl (2E)-N-(4-methylphenyl)sulfonyl-2-[1-(phenylmethyl)quinolin-4-ylidene]ethanimidothioate

Systemtic Name: methyl (2E)-N-(4-methylphenyl)sulfonyl-2-[1-(phenylmethyl)quinolin-4-ylidene]ethanimidothioate Openeye Name: methyl (2E)-2-(1-benzyl-4-quinolylidene)-N-(p-tolylsulfonyl)ethanimidothioate CAS Name: (2E)-N-(4-methylphenyl)sulfonyl-2-[1-(phenylmethyl)-4-quinolinylidene]ethanimidothioic acid methyl ester IUPAC Name: methyl (2E)-2-(1-benzylquinolin-4-ylidene)-N-(4-methylphenyl)sulfonylethanimidothioate Traditional Name: (2E)-2-(1-benzyl-4-quinolylidene)-N-tosyl-thioacetimidic acid methyl ester Formula: C26H24N2O2S2 MolecularWeight: 460.61096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C=C2C=CN(C3=CC=CC=C23)CC4=CC=CC=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(/C=C/2\C=CN(C3=CC=CC=C23)CC4=CC=CC=C4)SC

InChI

InChI=1S/C26H24N2O2S2/c1-20-12-14-23(15-13-20)32(29,30)27-26(31-2)18-22-16-17-28(19-21-8-4-3-5-9-21)25-11-7-6-10-24(22)25/h3-18H,19H2,1-2H3/b22-18+,27-26?