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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-m-anisylsulfonyl-4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-16-8-10-17(11-9-16)14-26-21(20-7-4-12-23-20)24-25-22(26)30(27,28)15-18-5-3-6-19(13-18)29-2/h3,5-6,8-11,13,20,23H,4,7,12,14-15H2,1-2H3