N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-oxidanylbut-1-ynyl)-4-sulfanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-oxidanylbut-1-ynyl)-4-sulfanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-sulfanylidene-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carboxamide Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=S)C2=C1SC(=C2)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C(C(=S)C2=C1SC(=C2)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O2S2/c1-2-24-13-18(20(26)23-12-14-6-8-15(22)9-7-14)19(27)17-11-16(28-21(17)24)5-3-4-10-25/h6-9,11,13,25H,2,4,10,12H2,1H3,(H,23,26)