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

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[(4-aminophenyl)methylthio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[(4-aminobenzyl)thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C16H13N4OS- MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(C=C3)N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(C=C3)N)[O-]

InChI

InChI=1S/C16H14N4OS/c17-13-8-6-11(7-9-13)10-22-16-18-15(21)14(19-20-16)12-4-2-1-3-5-12/h1-9H,10,17H2,(H,18,20,21)/p-1