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

Systemtic Name: 2-butyl-N-[(4-chlorophenyl)methyl]-7-methyl-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: 2-butyl-N-[(4-chlorophenyl)methyl]-7-methyl-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: 2-butyl-N-[(4-chlorophenyl)methyl]-7-methyl-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: 2-butyl-N-[(4-chlorophenyl)methyl]-7-methyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: 2-butyl-N-(4-chlorobenzyl)-7-methyl-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C20H21ClN2S3 MolecularWeight: 421.04214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(S1)N(C=C(C2=S)C(=S)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1=CC2=C(S1)N(C=C(C2=S)C(=S)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2S3/c1-3-4-5-15-10-16-18(24)17(12-23(2)20(16)26-15)19(25)22-11-13-6-8-14(21)9-7-13/h6-10,12H,3-5,11H2,1-2H3,(H,22,25)