(E)-1-(3,4-dimethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dimethylphenyl)-3-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC(=CC=C2)OC)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=CC(=CC=C2)OC)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C23H22N2O2S/c1-16-10-11-18(14-17(16)2)22(26)21(25-12-5-4-6-13-25)23(28)24-19-8-7-9-20(15-19)27-3/h4-15H,1-3H3,(H-,24,26,28)