3-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(5-bromo-2-furyl)-1,2,4-triazole CAS Name: 3-(5-bromo-2-furanyl)-4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(5-bromofuran-2-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(5-bromo-2-furyl)-1,2,4-triazole Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C20H16BrN3OS/c21-18-12-11-17(25-18)19-22-23-20(26-14-16-9-5-2-6-10-16)24(19)13-15-7-3-1-4-8-15/h1-12H,13-14H2