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

Systemtic Name: 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C17H27N5OS MolecularWeight: 349.49418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SC4CCCCNC4=O

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SC4CCCCNC4=O

InChI

InChI=1S/C17H27N5OS/c1-12-7-10-21(11-8-12)16-19-20-17(22(16)13-5-6-13)24-14-4-2-3-9-18-15(14)23/h12-14H,2-11H2,1H3,(H,18,23)