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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(p-anisylthio)-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)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-10-8-20(9-11-21)25-28-29-26(30(25)22-12-16-24(32-5)17-13-22)33-18-19-6-14-23(31-4)15-7-19/h6-17H,18H2,1-5H3