3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-25-17-10-9-14(12-16(17)21)13-27-20-23-22-19(18-8-5-11-26-18)24(20)15-6-3-2-4-7-15/h2-12H,13H2,1H3