(2S)-2-cyclopentyl-1-[(2R)-2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenyl-ethanone

Systemtic Name: (2S)-2-cyclopentyl-1-[(2R)-2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenyl-ethanone Openeye Name: (2S)-2-cyclopentyl-1-[(2R)-2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenyl-ethanone CAS Name: (2S)-2-cyclopentyl-1-[(2R)-2-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-pyrrolidinyl]-2-phenylethanone IUPAC Name: (2S)-2-cyclopentyl-1-[(2R)-2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylethanone Traditional Name: (2S)-2-cyclopentyl-1-[(2R)-2-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]pyrrolidino]-2-phenyl-ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CCCN2C(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(N1C)[C@H]2CCCN2C(=O)[C@@H](C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c1-3-28-22-24-23-20(25(22)2)18-14-9-15-26(18)21(27)19(17-12-7-8-13-17)16-10-5-4-6-11-16/h4-6,10-11,17-19H,3,7-9,12-15H2,1-2H3/t18-,19-/m1/s1