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

Systemtic Name: 6-(2-aminophenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-aminophenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-aminophenyl)-3-(hexylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-aminophenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-aminophenyl)-3-(hexylthio)-1,2,4-triazin-5-olate Formula: C15H19N4OS- MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

Isomeric SMILES

CCCCCCSC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

InChI

InChI=1S/C15H20N4OS/c1-2-3-4-7-10-21-15-17-14(20)13(18-19-15)11-8-5-6-9-12(11)16/h5-6,8-9H,2-4,7,10,16H2,1H3,(H,17,19,20)/p-1