3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(isobutylamino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C9H13N4O2S- MolecularWeight: 241.29012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC(=CN=N1)[O-]

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC(=CN=N1)[O-]

InChI

InChI=1S/C9H14N4O2S/c1-6(2)3-10-8(15)5-16-9-12-7(14)4-11-13-9/h4,6H,3,5H2,1-2H3,(H,10,15)(H,12,13,14)/p-1