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

Systemtic Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,4-dimethylphenyl)methylthio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(2,4-dimethylbenzyl)thio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c1-4-16-30-24-14-12-21(13-15-24)25-27-28-26(29(25)23-8-6-5-7-9-23)31-18-22-11-10-19(2)17-20(22)3/h5-15,17H,4,16,18H2,1-3H3