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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-anilino-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C20H20N3OS2+ MolecularWeight: 382.5223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS2/c1-22(2)16-10-12-23(13-11-16)18(19(24)17-9-6-14-26-17)20(25)21-15-7-4-3-5-8-15/h3-14H,1-2H3,(H-,21,24,25)/p+1