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

Systemtic Name: 3-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H22N5O4S2- MolecularWeight: 436.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[O-]

InChI

InChI=1S/C18H23N5O4S2/c1-13-17(25)20-18(22-21-13)28-12-16(24)19-14-7-6-8-15(11-14)29(26,27)23-9-4-2-3-5-10-23/h6-8,11H,2-5,9-10,12H2,1H3,(H,19,24)(H,20,22,25)/p-1