3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Formula: C31H37N3S MolecularWeight: 483.71058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C31H37N3S/c1-21-18-25(31(6,7)8)19-22(2)27(21)20-35-29-33-32-28(34(29)26-12-10-9-11-13-26)23-14-16-24(17-15-23)30(3,4)5/h9-19H,20H2,1-8H3