3-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C19H24N5O4S2- MolecularWeight: 450.55496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])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)/p-1