2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrN3OS/c1-2-11-23-18(15-9-6-10-16(20)12-15)21-22-19(23)25-13-17(24)14-7-4-3-5-8-14/h2-10,12H,1,11,13H2