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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4S/c1-16-5-9-18(10-6-16)14-26-21(20-4-3-13-23-20)24-25-22(26)27-15-19-11-7-17(2)8-12-19/h5-12,20,23H,3-4,13-15H2,1-2H3