3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

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