4-(4-methoxyphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one

Systemtic Name: 4-(4-methoxyphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-methoxyphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one CAS Name: 4-(4-methoxyphenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one IUPAC Name: 4-(4-methoxyphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-methoxyphenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one Formula: C10H8Cl3N3O2S MolecularWeight: 340.61342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C10H8Cl3N3O2S/c1-18-8-4-2-7(3-5-8)15-6-14-16(9(15)17)19-10(11,12)13/h2-6H,1H3