6-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1,2,4-triazin-5-olate

Systemtic Name: 6-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-phenoxypropylsulfanyl)-6-(p-tolyl)-1,2,4-triazin-5-olate CAS Name: 6-(4-methylphenyl)-3-(3-phenoxypropylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1,2,4-triazin-5-olate Traditional Name: 3-(3-phenoxypropylthio)-6-(p-tolyl)-1,2,4-triazin-5-olate Formula: C19H18N3O2S- MolecularWeight: 352.43012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCCOC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCCOC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H19N3O2S/c1-14-8-10-15(11-9-14)17-18(23)20-19(22-21-17)25-13-5-12-24-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,20,22,23)/p-1