3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3,5-dimethylbenzyl)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(=CC(=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCN4)C

InChI

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