3-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-tert-butylbenzyl)sulfonyl-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

InChI

InChI=1S/C19H28N4O2S/c1-5-23-17(16-7-6-12-20-16)21-22-18(23)26(24,25)13-14-8-10-15(11-9-14)19(2,3)4/h8-11,16,20H,5-7,12-13H2,1-4H3