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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3CCCCNC3=O

InChI

InChI=1S/C17H21N5O2S/c1-12-20-21-17(22(12)13-7-3-2-4-8-13)25-11-15(23)19-14-9-5-6-10-18-16(14)24/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,18,24)(H,19,23)