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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-phenyl-2-propen-1-one IUPAC Name: 3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-prop-2-en-1-one Formula: C21H19N2OS+ MolecularWeight: 347.45336

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2OS/c1-16-9-8-14-23(15-16)19(20(24)17-10-4-2-5-11-17)21(25)22-18-12-6-3-7-13-18/h2-15H,1H3,(H-,22,24,25)/p+1