N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]acetamide Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N5O4S2/c1-13-7-8-15(11-16(13)30(27,28)24-9-5-3-4-6-10-24)20-17(25)12-29-19-21-18(26)14(2)22-23-19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,25)(H,21,23,26)