1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c27-20(16-30-22-23-21(24-25-22)18-8-4-3-5-9-18)17-10-12-19(13-11-17)31(28,29)26-14-6-1-2-7-15-26/h3-5,8-13H,1-2,6-7,14-16H2,(H,23,24,25)