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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3S2/c28-19(15-31-21-24-20(25-26-21)16-9-11-22-12-10-16)23-17-5-7-18(8-6-17)32(29,30)27-13-3-1-2-4-14-27/h5-12H,1-4,13-15H2,(H,23,28)(H,24,25,26)