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

Systemtic Name: N-ethyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-ethyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-ethyl-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-ethyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-ethyl-2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(CC)C2=CC=CC=C2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(CC)C2=CC=CC=C2)CN3CCCCCC3=O

InChI

InChI=1S/C22H31N5O2S/c1-4-26(18-12-8-6-9-13-18)21(29)17(3)30-22-24-23-19(27(22)5-2)16-25-15-11-7-10-14-20(25)28/h6,8-9,12-13,17H,4-5,7,10-11,14-16H2,1-3H3