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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4)C

InChI

InChI=1S/C20H28N4OS/c1-14-9-15(2)11-16(10-14)13-26-20-23-22-19(18-6-3-7-21-18)24(20)12-17-5-4-8-25-17/h9-11,17-18,21H,3-8,12-13H2,1-2H3