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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N5O3S2/c1-14-7-8-15(20-17(24)12-27-18-21-19-13-22(18)2)11-16(14)28(25,26)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,24)