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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-(p-tolylmethylsulfanyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-methylbenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S/c1-16-9-11-18(12-10-16)15-26-21-24-23-20(19-8-5-13-22-19)25(21)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19,22H,5,8,13-15H2,1H3