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

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-oxidanylprop-1-ynyl)-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C20H17ClN2OS3 MolecularWeight: 433.00978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2OS3/c1-2-23-12-17(19(26)22-11-13-5-7-14(21)8-6-13)18(25)16-10-15(4-3-9-24)27-20(16)23/h5-8,10,12,24H,2,9,11H2,1H3,(H,22,26)