1-(3-bromanyl-4-methoxy-phenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H24BrN3O3S MolecularWeight: 538.45606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O3S/c1-3-15-33-21-12-9-18(10-13-21)25-28-29-26(30(25)20-7-5-4-6-8-20)34-17-23(31)19-11-14-24(32-2)22(27)16-19/h4-14,16H,3,15,17H2,1-2H3