1-[3,5-bis(chloranyl)phenyl]ethanone; 4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]ethanone; 4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-(3,5-dichlorophenyl)ethanone CAS Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-(3,5-dichlorophenyl)ethanone IUPAC Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-(3,5-dichlorophenyl)ethanone Traditional Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-(3,5-dichlorophenyl)ethanone Formula: C14H17Cl2N3OS MolecularWeight: 346.27528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NNC1=S.CC(=O)C1=CC(=CC(=C1)Cl)Cl

Isomeric SMILES

CCCCN1C=NNC1=S.CC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C8H6Cl2O.C6H11N3S/c1-5(11)6-2-7(9)4-8(10)3-6;1-2-3-4-9-5-7-8-6(9)10/h2-4H,1H3;5H,2-4H2,1H3,(H,8,10)