3-(4-tert-butylphenyl)-4-ethyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-ethyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1S/C=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N4O3S/c1-5-23-18(14-6-8-15(9-7-14)20(2,3)4)21-22-19(23)28-13-12-16-10-11-17(27-16)24(25)26/h6-13H,5H2,1-4H3/b13-12+