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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN4OS/c1-3-9-18-14(22)11-23-16-20-19-15(21(16)10-4-2)12-5-7-13(17)8-6-12/h4-8H,2-3,9-11H2,1H3,(H,18,22)