(3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3R)-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C15H24N4OS MolecularWeight: 308.44226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SC3CCCCNC3=O

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C15H24N4OS/c20-14-12(7-3-4-10-16-14)21-15-17-13(18-19-15)9-8-11-5-1-2-6-11/h11-12H,1-10H2,(H,16,20)(H,17,18,19)/t12-/m1/s1