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

Systemtic Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3R)-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=N2)C3CC3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C11H16N4OS/c16-10-8(3-1-2-6-12-10)17-11-13-9(14-15-11)7-4-5-7/h7-8H,1-6H2,(H,12,16)(H,13,14,15)/t8-/m1/s1