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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N5O3S2/c1-17-11-12-19(15-20(17)33(30,31)28-13-7-2-3-8-14-28)24-21(29)16-32-23-25-22(26-27-23)18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,24,29)(H,25,26,27)