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

Systemtic Name: 3-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-bromophenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrN3O2S/c1-2-6-17-12(19)15-16-13(17)20-8-11(18)9-4-3-5-10(14)7-9/h3-5,7H,2,6,8H2,1H3,(H,15,19)