2-[(3S)-3-[5-(phenylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamide

Systemtic Name: 2-[(3S)-3-[5-(phenylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(5-benzylsulfanyl-4-isopropyl-1,2,4-triazol-3-yl)-1-piperidyl]acetamide CAS Name: 2-[(3S)-3-[5-(phenylmethylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]-1-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(5-benzylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide Traditional Name: 2-[(3S)-3-[5-(benzylthio)-4-isopropyl-1,2,4-triazol-3-yl]piperidino]acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC(=O)N

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN(C3)CC(=O)N

InChI

InChI=1S/C19H27N5OS/c1-14(2)24-18(16-9-6-10-23(11-16)12-17(20)25)21-22-19(24)26-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H2,20,25)/t16-/m0/s1