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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-isobutyl-3-[(3-methoxyphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-isobutyl-3-m-anisylsulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-13(2)11-22-17(16-8-5-9-19-16)20-21-18(22)26(23,24)12-14-6-4-7-15(10-14)25-3/h4,6-7,10,13,16,19H,5,8-9,11-12H2,1-3H3