1-(4-nitrophenyl)-3-[(4-propan-2-ylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-nitrophenyl)-3-[(4-propan-2-ylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-isopropylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-(4-nitrophenyl)-3-(4-propan-2-ylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-nitrophenyl)-3-(4-propan-2-ylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-cumidino-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-16(2)17-6-10-19(11-7-17)24-23(30)21(25-14-4-3-5-15-25)22(27)18-8-12-20(13-9-18)26(28)29/h3-16H,1-2H3,(H-,24,27,30)/p+1