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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C25H24BrN3O2S MolecularWeight: 510.44596

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C25H24BrN3O2S/c1-3-15-31-21-12-10-19(11-13-21)24-27-28-25(29(24)20-7-5-4-6-8-20)32-17-18-9-14-23(30-2)22(26)16-18/h4-14,16H,3,15,17H2,1-2H3