N-[(4-cyanophenyl)methyl]-5-oxidanyl-1-benzothiophene-2-carbothioamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-5-oxidanyl-1-benzothiophene-2-carbothioamide Openeye Name: N-[(4-cyanophenyl)methyl]-5-hydroxy-benzothiophene-2-carbothioamide CAS Name: N-[(4-cyanophenyl)methyl]-5-hydroxy-1-benzothiophene-2-carbothioamide IUPAC Name: N-[(4-cyanophenyl)methyl]-5-hydroxy-1-benzothiophene-2-carbothioamide Traditional Name: N-(4-cyanobenzyl)-5-hydroxy-benzothiophene-2-carbothioamide Formula: C17H12N2OS2 MolecularWeight: 324.41998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)C2=CC3=C(S2)C=CC(=C3)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)C2=CC3=C(S2)C=CC(=C3)O)C#N

InChI

InChI=1S/C17H12N2OS2/c18-9-11-1-3-12(4-2-11)10-19-17(21)16-8-13-7-14(20)5-6-15(13)22-16/h1-8,20H,10H2,(H,19,21)