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

Systemtic Name: 4-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C25H29N5O2S MolecularWeight: 463.59506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CN4CCCCCC4=O

InChI

InChI=1S/C25H29N5O2S/c1-2-30-22(17-29-16-8-4-7-11-23(29)31)27-28-25(30)33-18-19-12-14-20(15-13-19)24(32)26-21-9-5-3-6-10-21/h3,5-6,9-10,12-15H,2,4,7-8,11,16-18H2,1H3,(H,26,32)