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

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c29-20(25-19-13-7-8-14-24-22(19)30)16-31-23-27-26-21(18-11-5-2-6-12-18)28(23)15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,24,30)(H,25,29)