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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-2-methylol-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide Formula: C16H13ClN2OS3 MolecularWeight: 380.93522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2OS3/c17-10-3-1-9(2-4-10)6-18-15(22)13-7-19-16-12(14(13)21)5-11(8-20)23-16/h1-5,7,20H,6,8H2,(H,18,22)(H,19,21)