6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[4-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[4-(3-pyridylmethylthio)phenyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C=C1

InChI

InChI=1S/C22H20N2OS2/c1-15-4-5-17-12-21(27-20(17)11-15)22(25)24-18-6-8-19(9-7-18)26-14-16-3-2-10-23-13-16/h2-11,13,21H,12,14H2,1H3,(H,24,25)