4-(4-propan-2-ylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one

Systemtic Name: 4-(4-propan-2-ylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-isopropylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one CAS Name: 4-(4-propan-2-ylphenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one IUPAC Name: 4-(4-propan-2-ylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Traditional Name: 4-p-cumenyl-2-(trichloromethylthio)-1,2,4-triazol-3-one Formula: C12H12Cl3N3OS MolecularWeight: 352.66718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl3N3OS/c1-8(2)9-3-5-10(6-4-9)17-7-16-18(11(17)19)20-12(13,14)15/h3-8H,1-2H3