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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-furanylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-furfurylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H14ClN2O2S2+ MolecularWeight: 377.88826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O2S2/c18-14-7-6-13(24-14)16(21)15(20-8-2-1-3-9-20)17(23)19-11-12-5-4-10-22-12/h1-10H,11H2,(H-,19,21,23)/p+1