2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile; 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C24H25Cl4N5O2S MolecularWeight: 589.3646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C15H17ClN4.C9H8Cl3NO2S/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13;10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h4-7,11-12H,2-3,8,10H2,1H3;1-2,5-6H,3-4H2