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

Systemtic Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C24H28N4O3S/c1-30-20-10-7-11-21(16-20)31-17-22-25-26-24(32-18-23(29)27-13-5-6-14-27)28(22)15-12-19-8-3-2-4-9-19/h2-4,7-11,16H,5-6,12-15,17-18H2,1H3