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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C21H18N3O3S+ MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-15-6-5-13-23(14-15)19(21(28)22-17-7-3-2-4-8-17)20(25)16-9-11-18(12-10-16)24(26)27/h2-14H,1H3,(H-,22,25,28)/p+1