(Z)-1-(4-ethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(4-ethylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-1-(4-ethylphenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-1-(4-ethylphenyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC(=CC=C2)OC)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C23H22N2O2S/c1-3-17-10-12-18(13-11-17)22(26)21(25-14-5-4-6-15-25)23(28)24-19-8-7-9-20(16-19)27-2/h4-16H,3H2,1-2H3,(H-,24,26,28)/p+1