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

Systemtic Name: 6-methyl-3-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 3-[(4-benzoylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[(4-benzoylphenyl)methylthio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-benzoylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[(4-benzoylbenzyl)thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H14N3O2S- MolecularWeight: 336.38766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15N3O2S/c1-12-17(23)19-18(21-20-12)24-11-13-7-9-15(10-8-13)16(22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,21,23)/p-1