N-(3-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H17BrN4OS/c1-3-8-20-13(4-2)18-19-15(20)22-10-14(21)17-12-7-5-6-11(16)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,17,21)