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

Systemtic Name: 3-[(3-methoxyphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-methoxyanilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-(3-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(m-anisidino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20N3O4S+ MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-15-9-10-16(13-19(15)25(27)28)21(26)20(24-11-4-3-5-12-24)22(30)23-17-7-6-8-18(14-17)29-2/h3-14H,1-2H3,(H-,23,26,30)/p+1