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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylamino)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)prop-2-en-1-one Formula: C27H25N2OS+ MolecularWeight: 425.5652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H24N2OS/c1-18-8-7-15-29(17-18)25(26(30)22-14-13-19(2)20(3)16-22)27(31)28-24-12-6-10-21-9-4-5-11-23(21)24/h4-17H,1-3H3,(H-,28,30,31)/p+1