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

Systemtic Name: 3-[(3-methoxyphenyl)amino]-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(3-methoxyanilino)-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-methoxyanilino)-2-(4-propyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(3-methoxyanilino)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(m-anisidino)-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC(=CC=C3)OC

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)