(E)-1-(5-chloranylthiophen-2-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(5-chloro-2-thienyl)-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-[4-(4-morpholinylsulfonyl)anilino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(5-chlorothiophen-2-yl)-3-(4-morpholin-4-ylsulfonylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(5-chloro-2-thienyl)-3-(4-morpholinosulfonylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H20ClN3O4S3 MolecularWeight: 522.0599

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)C(=C(C3=CC=C(S3)Cl)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)/C(=C(/C3=CC=C(S3)Cl)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O4S3/c23-19-9-8-18(32-19)21(27)20(25-10-2-1-3-11-25)22(31)24-16-4-6-17(7-5-16)33(28,29)26-12-14-30-15-13-26/h1-11H,12-15H2,(H-,24,27,31)