3-[(4-aminophenyl)methylsulfanyl]-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-5-olate Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3-isopropoxy-3-oxo-propyl)-1,2,4-triazin-5-olate CAS Name: 3-[(4-aminophenyl)methylthio]-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate Traditional Name: 3-[(4-aminobenzyl)thio]-6-(3-isopropoxy-3-keto-propyl)-1,2,4-triazin-5-olate Formula: C16H19N4O3S- MolecularWeight: 347.41206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=C(C=C2)N)[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=C(C=C2)N)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-10(2)23-14(21)8-7-13-15(22)18-16(20-19-13)24-9-11-3-5-12(17)6-4-11/h3-6,10H,7-9,17H2,1-2H3,(H,18,20,22)/p-1