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

Systemtic Name: 3-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[(4-cyanophenyl)methylthio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[(4-cyanobenzyl)thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C17H11N4OS- MolecularWeight: 319.36044

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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)C#N)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4OS/c18-10-12-6-8-13(9-7-12)11-23-17-19-16(22)15(20-21-17)14-4-2-1-3-5-14/h1-9H,11H2,(H,19,21,22)/p-1