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

Systemtic Name: N-cyclopropyl-2-[(3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[(3S)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]acetamide IUPAC Name: 2-[(3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[(3S)-3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]-N-cyclopropyl-acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC(=O)NC4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN(C3)CC(=O)NC4CC4

InChI

InChI=1S/C20H27N5OS/c1-24-19(22-23-20(24)27-14-15-6-3-2-4-7-15)16-8-5-11-25(12-16)13-18(26)21-17-9-10-17/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,21,26)/t16-/m0/s1