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

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylbenzyl)thio]-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3S/c1-26(2,3)23-16-14-22(15-17-23)24-27-28-25(29(24)4)30-18-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-17H,18H2,1-4H3