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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(4-methoxyphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methoxyanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-methoxyanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methoxyanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(p-anisidino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2/c1-23(2)16-10-12-24(13-11-16)19(20(25)18-5-4-14-28-18)21(27)22-15-6-8-17(26-3)9-7-15/h4-14H,1-3H3,(H-,22,25,27)