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

Systemtic Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)butanoic acid Openeye Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)butanoic acid CAS Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)butanoic acid IUPAC Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)butanoic acid Traditional Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)butyric acid Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)SCCCC(=O)O

Isomeric SMILES

C1CCC2=NN=C(N2CC1)SCCCC(=O)O

InChI

InChI=1S/C11H17N3O2S/c15-10(16)6-4-8-17-11-13-12-9-5-2-1-3-7-14(9)11/h1-8H2,(H,15,16)