2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H10Cl2N3O2S- MolecularWeight: 343.2084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCC(=O)[O-]

InChI

InChI=1S/C13H11Cl2N3O2S/c14-9-4-3-8(5-10(9)15)18-12(7-1-2-7)16-17-13(18)21-6-11(19)20/h3-5,7H,1-2,6H2,(H,19,20)/p-1