N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C17H21N5O2S/c23-15(11-25-17-18-12-19-21-17)20-14-7-5-13(6-8-14)16(24)22-9-3-1-2-4-10-22/h5-8,12H,1-4,9-11H2,(H,20,23)(H,18,19,21)