4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C23H18BrN3O2S/c24-19-8-4-5-17(11-19)14-30-23-26-25-22(18-6-2-1-3-7-18)27(23)13-16-9-10-20-21(12-16)29-15-28-20/h1-12H,13-15H2