1-[[5-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(3S)-2-oxoazepan-3-yl]sulfanyl-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[(3S)-2-oxo-3-azepanyl]thio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(3S)-2-oxoazepan-3-yl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[(3S)-2-ketoazepan-3-yl]thio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SC4CCCCNC4=O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)S[C@H]4CCCCNC4=O

InChI

InChI=1S/C20H26N6O2S/c27-18-9-2-1-5-12-25(18)14-17-23-24-20(26(17)15-7-6-10-21-13-15)29-16-8-3-4-11-22-19(16)28/h6-7,10,13,16H,1-5,8-9,11-12,14H2,(H,22,28)/t16-/m0/s1