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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-[(4-methylphenyl)methyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4S/c1-16-6-8-19(9-7-16)14-27-22(21-5-4-10-24-21)25-26-23(27)28-15-20-12-17(2)11-18(3)13-20/h6-9,11-13,21,24H,4-5,10,14-15H2,1-3H3