3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C25H30ClN3O2S MolecularWeight: 472.0426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCC4CCCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCC4CCCCO4

InChI

InChI=1S/C25H30ClN3O2S/c1-25(2,3)18-10-8-17(9-11-18)23-27-28-24(32-16-20-7-5-6-14-31-20)29(23)19-12-13-22(30-4)21(26)15-19/h8-13,15,20H,5-7,14,16H2,1-4H3