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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H23N2OS+ MolecularWeight: 411.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC3=CC=CC=C32)S)[N+]4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC3=CC=CC=C32)S)[N+]4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2OS/c1-18-13-14-21(17-19(18)2)25(29)24(28-15-6-3-7-16-28)26(30)27-23-12-8-10-20-9-4-5-11-22(20)23/h3-17H,1-2H3,(H-,27,29,30)/p+1