6-(2-aminophenyl)-3-propan-2-ylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-aminophenyl)-3-propan-2-ylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-aminophenyl)-3-isopropylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-aminophenyl)-3-(propan-2-ylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-aminophenyl)-3-propan-2-ylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-aminophenyl)-3-(isopropylthio)-1,2,4-triazin-5-olate Formula: C12H13N4OS- MolecularWeight: 261.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

Isomeric SMILES

CC(C)SC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

InChI

InChI=1S/C12H14N4OS/c1-7(2)18-12-14-11(17)10(15-16-12)8-5-3-4-6-9(8)13/h3-7H,13H2,1-2H3,(H,14,16,17)/p-1