1-(3,4-dimethylphenyl)-3-[(2-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-(2-ethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-ethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C24H24N2OS/c1-4-19-10-6-7-11-21(19)25-24(28)22(26-14-8-5-9-15-26)23(27)20-13-12-17(2)18(3)16-20/h5-16H,4H2,1-3H3,(H-,25,27,28)/p+1