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

Systemtic Name: (2S)-2-cyclopentyl-1-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenyl-ethanone Openeye Name: (2S)-2-cyclopentyl-1-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]-2-phenyl-ethanone CAS Name: (2S)-2-cyclopentyl-1-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-2-phenylethanone IUPAC Name: (2S)-2-cyclopentyl-1-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylethanone Traditional Name: (2S)-2-cyclopentyl-1-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]-2-phenyl-ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCCN(C2)C(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCCN(C2)C(=O)[C@@H](C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c1-25-20(23-24-22(25)28-2)18-13-8-14-26(15-18)21(27)19(17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-19H,6-8,11-15H2,1-2H3/t18-,19+/m0/s1