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

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-oxidanylbut-1-ynyl)-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-7-ethyl-2-(4-hydroxybut-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C21H19ClN2OS3 MolecularWeight: 447.03636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2OS3/c1-2-24-13-18(20(27)23-12-14-6-8-15(22)9-7-14)19(26)17-11-16(28-21(17)24)5-3-4-10-25/h6-9,11,13,25H,2,4,10,12H2,1H3,(H,23,27)