(2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=CC=C4C

InChI

InChI=1S/C23H26N4OS/c1-3-27-21(19-14-8-7-11-17(19)2)24-25-23(27)29-20(18-12-5-4-6-13-18)22(28)26-15-9-10-16-26/h4-8,11-14,20H,3,9-10,15-16H2,1-2H3/t20-/m0/s1