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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N5O2S/c1-22-13-19-21-18(22)26-12-16(24)20-15-8-6-7-14(11-15)17(25)23-9-4-2-3-5-10-23/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,20,24)