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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H26N4O2S/c1-14-11-17(22(3,4)5)12-15(2)19(14)13-29-21-24-23-20(25(21)6)16-7-9-18(10-8-16)26(27)28/h7-12H,13H2,1-6H3