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

Systemtic Name: 3-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SC4CCCCNC4=O

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SC4CCCCNC4=O

InChI

InChI=1S/C22H31N5O2S/c1-29-18-11-7-8-16(14-18)24-15-20-25-26-22(27(20)17-9-3-2-4-10-17)30-19-12-5-6-13-23-21(19)28/h7-8,11,14,17,19,24H,2-6,9-10,12-13,15H2,1H3,(H,23,28)