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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-(m-tolylmethylsulfanyl)-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylthio]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-(4-methylbenzyl)-3-[(3-methylbenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C22H26N4S MolecularWeight: 378.53364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C)C4CCCN4

InChI

InChI=1S/C22H26N4S/c1-16-8-10-18(11-9-16)14-26-21(20-7-4-12-23-20)24-25-22(26)27-15-19-6-3-5-17(2)13-19/h3,5-6,8-11,13,20,23H,4,7,12,14-15H2,1-2H3