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

Systemtic Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN4O2S/c1-2-3-8-19-13(21)17-18-14(19)22-9-12(20)16-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,20)(H,17,21)