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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C2=C1SC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=S)C2=C1SC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN2OS3/c1-22-11-16(18(25)21-10-12-4-6-13(20)7-5-12)17(24)15-9-14(3-2-8-23)26-19(15)22/h4-7,9,11,23H,8,10H2,1H3,(H,21,25)