2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-(3-methoxyanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3-mercapto-3-(3-methoxyanilino)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(3-methoxyanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-(m-anisidino)-3-mercapto-prop-2-en-1-one Formula: C31H34N3O2S+ MolecularWeight: 512.68556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(=C(NC3=CC(=CC=C3)OC)S)[N+]4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(=C(NC3=CC(=CC=C3)OC)S)[N+]4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H33N3O2S/c1-21-19-27(22(2)34(21)25-12-8-7-9-13-25)29(35)28(33-17-15-23(16-18-33)31(3,4)5)30(37)32-24-11-10-14-26(20-24)36-6/h7-20H,1-6H3,(H-,32,35,37)/p+1