1-(5-chloranylthiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(5-chloro-2-thienyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(5-chloro-2-thiophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-1-(5-chlorothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(5-chloro-2-thienyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-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)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(S3)Cl

InChI

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