3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H18BrN3O3S/c1-3-4-7-19-14(21)17-18-15(19)23-9-12(20)10-5-6-13(22-2)11(16)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,21)