1-(3-nitrophenyl)-3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3-nitrophenyl)-3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(3-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-1-(3-nitrophenyl)-2-(4-propyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(3-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-1-(3-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3S/c1-2-7-17-12-14-25(15-13-17)21(23(30)24-19-9-4-3-5-10-19)22(27)18-8-6-11-20(16-18)26(28)29/h3-6,8-16H,2,7H2,1H3,(H-,24,27,30)/p+1