4-methyl-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-methyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-methyl-3-(2-naphthalenylmethylsulfonyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-methyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)CC2=CC3=CC=CC=C3C=C2)C4CCCN4

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)CC2=CC3=CC=CC=C3C=C2)C4CCCN4

InChI

InChI=1S/C18H20N4O2S/c1-22-17(16-7-4-10-19-16)20-21-18(22)25(23,24)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,16,19H,4,7,10,12H2,1H3