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

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(2-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(2-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)16-11-9-14(10-12-16)18-21-22-19(23(18)4)27-13-15-7-5-6-8-17(15)24(25)26/h5-12H,13H2,1-4H3