1-(azepan-1-yl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]ethanone Formula: C17H29N5OS MolecularWeight: 351.51006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCCN(C2)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCCN(C2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H29N5OS/c1-20-16(18-19-17(20)24-2)14-8-7-9-21(12-14)13-15(23)22-10-5-3-4-6-11-22/h14H,3-13H2,1-2H3/t14-/m0/s1