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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H18BrN3OS/c1-3-11-23-18(15-7-5-4-6-8-15)21-22-19(23)25-13-14-9-10-17(24-2)16(20)12-14/h3-10,12H,1,11,13H2,2H3