6-[2-(butanoylamino)phenyl]-3-methylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-[2-(butanoylamino)phenyl]-3-methylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-[2-(butanoylamino)phenyl]-3-methylsulfanyl-1,2,4-triazin-5-olate CAS Name: 3-(methylthio)-6-[2-(1-oxobutylamino)phenyl]-1,2,4-triazin-5-olate IUPAC Name: 6-[2-(butanoylamino)phenyl]-3-methylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-butyramidophenyl)-3-(methylthio)-1,2,4-triazin-5-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC=C1C2=C(N=C(N=N2)SC)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=CC=C1C2=C(N=C(N=N2)SC)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-3-6-11(19)15-10-8-5-4-7-9(10)12-13(20)16-14(21-2)18-17-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,19)(H,16,18,20)/p-1