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

Systemtic Name: 3-(naphthalen-2-ylmethylsulfonyl)-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-(2-naphthalenylmethylsulfonyl)-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H24N4O2S/c29-31(30,17-19-12-13-20-9-4-5-10-21(20)15-19)24-27-26-23(22-11-6-14-25-22)28(24)16-18-7-2-1-3-8-18/h1-5,7-10,12-13,15,22,25H,6,11,14,16-17H2