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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-12-10-20(11-13-21)19-33-26-29-28-25(18-32-24-8-6-5-7-9-24)30(26)22-14-16-23(31-4)17-15-22/h5-17H,18-19H2,1-4H3