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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-16-13-18(9-10-19(16)23)29-14-20-24-25-22(27(20)17-7-3-2-4-8-17)30-15-21(28)26-11-5-6-12-26/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3