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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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