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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)Br

InChI

InChI=1S/C19H18BrN3OS/c1-24-17-10-7-13(11-16(17)20)12-25-19-22-21-18(14-8-9-14)23(19)15-5-3-2-4-6-15/h2-7,10-11,14H,8-9,12H2,1H3