1-[[5-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CN=CC=C3)CN4CCCCCC4=O

InChI

InChI=1S/C22H30N6O2S/c1-17-7-6-12-26(14-17)21(30)16-31-22-25-24-19(28(22)18-8-5-10-23-13-18)15-27-11-4-2-3-9-20(27)29/h5,8,10,13,17H,2-4,6-7,9,11-12,14-16H2,1H3