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

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-25(2,3)20-14-12-19(13-15-20)23-26-27-24(28(23)21-9-5-4-6-10-21)32-17-18-8-7-11-22(16-18)29(30)31/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3