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

Systemtic Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-methyl-3-(m-tolylmethylsulfonyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-methyl-3-(3-methylbenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C)C3CCCN3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C)C3CCCN3

InChI

InChI=1S/C15H20N4O2S/c1-11-5-3-6-12(9-11)10-22(20,21)15-18-17-14(19(15)2)13-7-4-8-16-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3