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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-benzyl-4-ethyl-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)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-27-20(17-18-11-5-3-6-12-18)24-25-23(27)29-21(19-13-7-4-8-14-19)22(28)26-15-9-10-16-26/h3-8,11-14,21H,2,9-10,15-17H2,1H3