3-[(3-methoxyphenyl)amino]-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(3-methoxyphenyl)amino]-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3-methoxyanilino)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-mercapto-3-(3-methoxyanilino)-2-(4-propyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3-methoxyanilino)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(m-anisidino)-3-mercapto-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C22H23N2O2S2+ MolecularWeight: 411.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)OC)S)C(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)OC)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O2S2/c1-3-6-16-10-12-24(13-11-16)20(21(25)19-9-5-14-28-19)22(27)23-17-7-4-8-18(15-17)26-2/h4-5,7-15H,3,6H2,1-2H3,(H-,23,25,27)/p+1