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

Systemtic Name: 3-[(3-chlorophenyl)amino]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3-chloroanilino)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(3-chloroanilino)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3-chloroanilino)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(3-chloroanilino)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C20H19ClN3OS2+ MolecularWeight: 416.96736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3OS2/c1-23(2)16-8-10-24(11-9-16)18(19(25)17-7-4-12-27-17)20(26)22-15-6-3-5-14(21)13-15/h3-13H,1-2H3,(H-,22,25,26)/p+1