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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-(2-naphthylmethylsulfonyl)-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-[(4-methylphenyl)methyl]-3-(2-naphthalenylmethylsulfonyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-[(4-methylphenyl)methyl]-3-(naphthalen-2-ylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-(4-methylbenzyl)-3-(2-naphthylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC4=CC=CC=C4C=C3)C5CCCN5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC4=CC=CC=C4C=C3)C5CCCN5

InChI

InChI=1S/C25H26N4O2S/c1-18-8-10-19(11-9-18)16-29-24(23-7-4-14-26-23)27-28-25(29)32(30,31)17-20-12-13-21-5-2-3-6-22(21)15-20/h2-3,5-6,8-13,15,23,26H,4,7,14,16-17H2,1H3