3-[(3-methylphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-methylphenyl)amino]-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-methylanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-(3-methylanilino)-1-(4-nitrophenyl)-2-(1-quinolin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-methylanilino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-3-(m-toluidino)-1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-prop-2-en-1-one Formula: C25H20N3O3S+ MolecularWeight: 442.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC4=CC=CC=C43)S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC4=CC=CC=C43)S

InChI

InChI=1S/C25H19N3O3S/c1-17-6-4-9-20(16-17)26-25(32)23(24(29)19-11-13-21(14-12-19)28(30)31)27-15-5-8-18-7-2-3-10-22(18)27/h2-16H,1H3,(H-,26,29,32)/p+1