N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H20N2OS2/c24-21(19-14-26-20-6-2-1-5-18(19)20)23-16-7-9-17(10-8-16)25-13-15-4-3-11-22-12-15/h3-4,7-12,14H,1-2,5-6,13H2,(H,23,24)