3-[(4-bromophenyl)methylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[(4-bromobenzyl)thio]-1,2,4-triazole Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18BrN3O2S2/c1-2-12-23-18(14-27(24,25)17-6-4-3-5-7-17)21-22-19(23)26-13-15-8-10-16(20)11-9-15/h2-11H,1,12-14H2