3-[(2,6-dimethylphenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-3-mercapto-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-dimethylanilino)-3-mercapto-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C28H25N2OS+ MolecularWeight: 437.5759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C28H24N2OS/c1-20-10-9-11-21(2)25(20)29-28(32)26(30-18-7-4-8-19-30)27(31)24-16-14-23(15-17-24)22-12-5-3-6-13-22/h3-19H,1-2H3,(H-,29,31,32)/p+1