2-methyl-N,4-diphenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: 2-methyl-N,4-diphenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide Openeye Name: 2-methyl-N,4-diphenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-3-carboxamide CAS Name: 2-methyl-N,4-diphenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide IUPAC Name: 2-methyl-N,4-diphenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide Traditional Name: 2-methyl-N,4-diphenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-3-carboxamide Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H22N2OS/c1-16-21(24(28)27-18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)23-19-14-8-9-15-20(19)29-25(23)26-16/h2-7,10-13H,8-9,14-15H2,1H3,(H,27,28)