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

Systemtic Name: 3-[(3-chlorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3-chloroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(3-chloroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3-chloroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(3-chloroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C18H14ClN2OS2+ MolecularWeight: 373.89956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2OS2/c19-13-6-4-7-14(12-13)20-18(23)16(21-9-2-1-3-10-21)17(22)15-8-5-11-24-15/h1-12H,(H-,20,22,23)/p+1