(E)-2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)-3-[(4-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)-3-[(4-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)-3-(4-methylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(2-isoquinolin-2-iumyl)-1-(4-methoxyphenyl)-3-(4-methylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)-3-(4-methylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)-3-(p-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC)[O-])[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)OC)\[O-])/[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N2O2S/c1-18-7-11-22(12-8-18)27-26(31)24(25(29)20-9-13-23(30-2)14-10-20)28-16-15-19-5-3-4-6-21(19)17-28/h3-17H,1-2H3,(H-,27,29,31)