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

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O2S/c1-25(2,3)20-13-11-19(12-14-20)23-26-27-24(28(23)21-7-5-4-6-8-21)32-17-18-9-15-22(16-10-18)29(30)31/h9-16,21H,4-8,17H2,1-3H3