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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-(m-tolylmethylsulfonyl)-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylsulfonyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-(4-methylbenzyl)-3-(3-methylbenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=CC(=C3)C)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=CC(=C3)C)C4CCCN4

InChI

InChI=1S/C22H26N4O2S/c1-16-8-10-18(11-9-16)14-26-21(20-7-4-12-23-20)24-25-22(26)29(27,28)15-19-6-3-5-17(2)13-19/h3,5-6,8-11,13,20,23H,4,7,12,14-15H2,1-2H3