1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 2-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 2-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone; 2-(1,1,2,2-tetrachloroethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 2-(1,1,2,2-tetrachloroethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C24H25Cl5N4O4S MolecularWeight: 642.8097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl.C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl.C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C14H16ClN3O2.C10H9Cl4NO2S/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11;11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h4-9,13H,1-3H3;1-2,5-6,9H,3-4H2