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

Systemtic Name: (2S)-2-methoxy-1-[(3S)-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenyl-ethanone Openeye Name: (2S)-1-[(3S)-3-(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]-2-methoxy-2-phenyl-ethanone CAS Name: (2S)-2-methoxy-1-[(3S)-3-[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]-1-piperidinyl]-2-phenylethanone IUPAC Name: (2S)-2-methoxy-1-[(3S)-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylethanone Traditional Name: (2S)-1-[(3S)-3-[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]-2-methoxy-2-phenyl-ethanone Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC)C2CCCN(C2)C(=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SC)[C@H]2CCCN(C2)C(=O)[C@H](C3=CC=CC=C3)OC

InChI

InChI=1S/C20H28N4O2S/c1-14(2)24-18(21-22-20(24)27-4)16-11-8-12-23(13-16)19(25)17(26-3)15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,8,11-13H2,1-4H3/t16-,17-/m0/s1