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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(3-methoxyphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-3-(3-methoxyanilino)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(m-anisidino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C21H22N3O2S2+ MolecularWeight: 412.54828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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