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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H19BrN4O2S MolecularWeight: 399.30596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4O2S/c1-3-4-7-20-14(22)18-19-15(20)23-9-13(21)17-11-5-6-12(16)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,21)(H,18,22)