3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H13Cl2N3O2S MolecularWeight: 346.23222

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl2N3O2S/c1-2-5-18-12(20)16-17-13(18)21-7-11(19)9-4-3-8(14)6-10(9)15/h3-4,6H,2,5,7H2,1H3,(H,16,20)