6-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C15H22N3O4S- MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NNC(=NC2=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NNC(=NC2=O)[O-])C(C)C

InChI

InChI=1S/C15H23N3O4S/c1-8(2)10-5-4-9(3)6-11(10)22-12(19)7-23-14-13(20)16-15(21)18-17-14/h8-11H,4-7H2,1-3H3,(H2,16,18,20,21)/p-1/t9-,10+,11-/m0/s1