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

Systemtic Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-2-18-10-12-20(13-11-18)29-16-21-24-25-23(27(21)19-8-4-3-5-9-19)30-17-22(28)26-14-6-7-15-26/h3-5,8-13H,2,6-7,14-17H2,1H3