N-cyclohexyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-cyclohexyl-2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3=CC=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3=CC=CC=C3)CN4CCCCCC4=O

InChI

InChI=1S/C25H35N5O2S/c1-2-29-22(18-28-17-11-5-10-16-23(28)31)26-27-25(29)33-19-24(32)30(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3,6-7,12-13,21H,2,4-5,8-11,14-19H2,1H3