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

Systemtic Name: 3-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-isobutyl-3-(m-tolylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-isobutyl-3-(3-methylbenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CC(C)C)C3CCCN3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CC(C)C)C3CCCN3

InChI

InChI=1S/C18H26N4O2S/c1-13(2)11-22-17(16-8-5-9-19-16)20-21-18(22)25(23,24)12-15-7-4-6-14(3)10-15/h4,6-7,10,13,16,19H,5,8-9,11-12H2,1-3H3