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

Systemtic Name: 3-[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H17ClN5O5S2- MolecularWeight: 458.91968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)[O-]

InChI

InChI=1S/C16H18ClN5O5S2/c1-10-15(24)19-16(21-20-10)28-9-14(23)18-11-2-3-12(17)13(8-11)29(25,26)22-4-6-27-7-5-22/h2-3,8H,4-7,9H2,1H3,(H,18,23)(H,19,21,24)/p-1