3-(2-bromophenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-bromophenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-bromophenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-bromophenyl)-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-bromophenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-bromophenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN3OS/c1-2-12-23-18(16-10-6-7-11-17(16)20)21-22-19(23)25-14-13-24-15-8-4-3-5-9-15/h2-11H,1,12-14H2