1-(5-chloranylthiophen-2-yl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(benzylamino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(benzylamino)-1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(benzylamino)-1-(5-chloro-2-thienyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H16ClN2OS2+ MolecularWeight: 387.92614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H15ClN2OS2/c20-16-10-9-15(25-16)18(23)17(22-11-5-2-6-12-22)19(24)21-13-14-7-3-1-4-8-14/h1-12H,13H2,(H-,21,23,24)/p+1