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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(m-tolyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(m-tolyl)-4-phenyl-1,2,4-triazole Formula: C28H31N3S MolecularWeight: 441.63084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H31N3S/c1-19-11-10-12-22(15-19)26-29-30-27(31(26)24-13-8-7-9-14-24)32-18-25-20(2)16-23(17-21(25)3)28(4,5)6/h7-17H,18H2,1-6H3