3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3OS/c1-19-7-6-8-21(17-19)25-28-29-26(30(25)23-13-15-24(31-5)16-14-23)32-18-20-9-11-22(12-10-20)27(2,3)4/h6-17H,18H2,1-5H3