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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-isobutyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-tert-butylbenzyl)sulfonyl-4-isobutyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

Isomeric SMILES

CC(C)CN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

InChI

InChI=1S/C21H32N4O2S/c1-15(2)13-25-19(18-7-6-12-22-18)23-24-20(25)28(26,27)14-16-8-10-17(11-9-16)21(3,4)5/h8-11,15,18,22H,6-7,12-14H2,1-5H3