3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SC4CCCCNC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SC4CCCCNC4=O

InChI

InChI=1S/C22H29ClN4O2S/c1-15-13-16(23)10-11-18(15)29-14-20-25-26-22(27(20)17-7-3-2-4-8-17)30-19-9-5-6-12-24-21(19)28/h10-11,13,17,19H,2-9,12,14H2,1H3,(H,24,28)