3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate CAS Name: 3-[(4-tert-butylphenyl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 3-[(4-tert-butylbenzyl)thio]-1,2,4-triazin-5-olate Formula: C14H16N3OS- MolecularWeight: 274.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C14H17N3OS/c1-14(2,3)11-6-4-10(5-7-11)9-19-13-16-12(18)8-15-17-13/h4-8H,9H2,1-3H3,(H,16,17,18)/p-1