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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H20ClN5O3S2 MolecularWeight: 429.9447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O3S2/c17-13-6-5-12(27(24,25)22-7-3-1-2-4-8-22)9-14(13)20-15(23)10-26-16-18-11-19-21-16/h5-6,9,11H,1-4,7-8,10H2,(H,20,23)(H,18,19,21)