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

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C13H12BrN3O2S MolecularWeight: 354.22228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H12BrN3O2S/c14-9-3-1-8(2-4-9)11(18)7-20-13-16-15-12(19)17(13)10-5-6-10/h1-4,10H,5-7H2,(H,15,19)