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

Systemtic Name: 4-(2-methylpropyl)-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-isobutyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-(2-methylpropyl)-3-(2-naphthalenylmethylsulfonyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(2-methylpropyl)-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-isobutyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-15(2)13-25-20(19-8-5-11-22-19)23-24-21(25)28(26,27)14-16-9-10-17-6-3-4-7-18(17)12-16/h3-4,6-7,9-10,12,15,19,22H,5,8,11,13-14H2,1-2H3