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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCNC2=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-2-23-16(13-8-4-3-5-9-13)21-22-18(23)26-12-15(24)20-14-10-6-7-11-19-17(14)25/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,25)(H,20,24)