N-(4-bromophenyl)-2-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H17BrN4O3S MolecularWeight: 401.27878

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN4O3S/c1-22-8-2-7-19-13(21)17-18-14(19)23-9-12(20)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9H2,1H3,(H,16,20)(H,17,21)