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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3OS/c1-17(2)15-27-22(19-9-13-21(28-6)14-10-19)25-26-23(27)29-16-18-7-11-20(12-8-18)24(3,4)5/h7-14,17H,15-16H2,1-6H3