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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(4-oxidanylbut-1-ynyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(4-hydroxybut-1-ynyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-2-(4-hydroxybut-1-ynyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide Formula: C19H15ClN2OS3 MolecularWeight: 418.9832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=S)C=C(S3)C#CCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=S)C=C(S3)C#CCCO)Cl

InChI

InChI=1S/C19H15ClN2OS3/c20-13-6-4-12(5-7-13)10-21-18(25)16-11-22-19-15(17(16)24)9-14(26-19)3-1-2-8-23/h4-7,9,11,23H,2,8,10H2,(H,21,25)(H,22,24)