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

Systemtic Name: 3-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NNC(=O)N2C3CC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C14H22N4O2S/c1-10(12(19)17-8-4-2-3-5-9-17)21-14-16-15-13(20)18(14)11-6-7-11/h10-11H,2-9H2,1H3,(H,15,20)/t10-/m1/s1