1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-[(2-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-[(2-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-(2-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-3-mercapto-3-(2-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-(2-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-mercapto-3-(o-anisidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C27H25FN3O2S+ MolecularWeight: 474.569703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)C(=C(NC3=CC=CC=C3OC)S)[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)C(=C(NC3=CC=CC=C3OC)S)[N+]4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O2S/c1-18-17-20(19(2)31(18)23-13-7-5-11-21(23)28)26(32)25(30-15-9-4-10-16-30)27(34)29-22-12-6-8-14-24(22)33-3/h4-17H,1-3H3,(H-,29,32,34)/p+1