3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)21-12-10-20(11-13-21)24-27-28-25(31-18-19-8-6-5-7-9-19)29(24)22-14-16-23(30-4)17-15-22/h5-17H,18H2,1-4H3