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

Systemtic Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C15H19BrN4O2S MolecularWeight: 399.30596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

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