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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H23N2OS+ MolecularWeight: 375.50652

Click to see the large picture

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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2OS/c1-16-8-7-13-25(15-16)21(23(27)24-20-9-5-4-6-10-20)22(26)19-12-11-17(2)18(3)14-19/h4-15H,1-3H3,(H-,24,26,27)/p+1