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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-methoxyphenyl)-4-phenyl-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)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

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