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

Systemtic Name: 3-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 4-benzyl-3-(5-bromo-2-furyl)-5-isopropylsulfanyl-1,2,4-triazole CAS Name: 3-(5-bromo-2-furanyl)-4-(phenylmethyl)-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(5-bromofuran-2-yl)-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-(5-bromo-2-furyl)-5-(isopropylthio)-1,2,4-triazole Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

InChI

InChI=1S/C16H16BrN3OS/c1-11(2)22-16-19-18-15(13-8-9-14(17)21-13)20(16)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3