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

Systemtic Name: 3-(5-bromanylfuran-2-yl)-5-(3-phenoxypropylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(5-bromo-2-furyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole CAS Name: 3-(5-bromo-2-furanyl)-5-(3-phenoxypropylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(5-bromofuran-2-yl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(5-bromo-2-furyl)-5-(3-phenoxypropylthio)-1,2,4-triazole Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCOC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCOC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C22H20BrN3O2S/c23-20-13-12-19(28-20)21-24-25-22(26(21)16-17-8-3-1-4-9-17)29-15-7-14-27-18-10-5-2-6-11-18/h1-6,8-13H,7,14-16H2