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

Systemtic Name: 4-ethyl-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-(m-tolylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-methylphenyl)methylsulfonyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-(3-methylbenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-3-20-15(14-8-5-9-17-14)18-19-16(20)23(21,22)11-13-7-4-6-12(2)10-13/h4,6-7,10,14,17H,3,5,8-9,11H2,1-2H3