3-[(4-ethoxyphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-ethoxyanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(4-ethoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-1-(4-methyl-3-nitro-phenyl)-3-(p-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H22N3O4S+ MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+]3=CC=CC=C3)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+]3=CC=CC=C3)S

InChI

InChI=1S/C23H21N3O4S/c1-3-30-19-11-9-18(10-12-19)24-23(31)21(25-13-5-4-6-14-25)22(27)17-8-7-16(2)20(15-17)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,31)/p+1