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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)OC

InChI

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