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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H13BrN4OS MolecularWeight: 353.23752

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4OS/c1-2-7-15-11(19)8-20-13-16-12(17-18-13)9-3-5-10(14)6-4-9/h2-6H,1,7-8H2,(H,15,19)(H,16,17,18)