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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-(o-tolylmethylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[(2-methylphenyl)methylthio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[(2-methylbenzyl)thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C17H14N3OS- MolecularWeight: 308.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H15N3OS/c1-12-7-5-6-10-14(12)11-22-17-18-16(21)15(19-20-17)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,20,21)/p-1