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

Systemtic Name: (3S)-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C16H25N5OS MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SC4CCCCNC4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)S[C@H]4CCCCNC4=O

InChI

InChI=1S/C16H25N5OS/c22-14-13(6-2-3-9-17-14)23-16-19-18-15(21(16)12-7-8-12)20-10-4-1-5-11-20/h12-13H,1-11H2,(H,17,22)/t13-/m0/s1