1-(5-chloranylthiophen-2-yl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-furylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-furanylmethylamino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-furfurylamino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C18H16ClN2O2S2+ MolecularWeight: 391.91484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H15ClN2O2S2/c1-12-4-2-8-21(11-12)16(17(22)14-6-7-15(19)25-14)18(24)20-10-13-5-3-9-23-13/h2-9,11H,10H2,1H3,(H-,20,22,24)/p+1