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

Systemtic Name: (3S)-3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SC3CCCCNC3=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2S[C@H]3CCCCNC3=O)N4CCCCC4

InChI

InChI=1S/C20H27N5O2S/c1-27-16-10-4-3-9-15(16)25-19(24-13-7-2-8-14-24)22-23-20(25)28-17-11-5-6-12-21-18(17)26/h3-4,9-10,17H,2,5-8,11-14H2,1H3,(H,21,26)/t17-/m0/s1