3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C25H31N3O2S MolecularWeight: 437.59754

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)SCC4CCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-25(2,3)19-10-8-18(9-11-19)23-26-27-24(31-17-22-7-5-6-16-30-22)28(23)20-12-14-21(29-4)15-13-20/h8-15,22H,5-7,16-17H2,1-4H3