3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)propyl]-1H-benzimidazol-2-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCC2=NN=C(N2CC1)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C17H21N5OS/c23-16-18-13-7-3-4-8-14(13)21(16)11-6-12-24-17-20-19-15-9-2-1-5-10-22(15)17/h3-4,7-8H,1-2,5-6,9-12H2,(H,18,23)