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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=S)C2=C1SC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1C=C(C(=S)C2=C1SC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2OS3/c1-13(2)24-12-18(20(27)23-11-14-5-7-15(22)8-6-14)19(26)17-10-16(4-3-9-25)28-21(17)24/h5-8,10,12-13,25H,9,11H2,1-2H3,(H,23,27)