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

Systemtic Name: 4-(oxolan-2-ylmethyl)-3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 4-(2-oxolanylmethyl)-3-[(2-phenylphenyl)methylsulfonyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(oxolan-2-ylmethyl)-3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(2-phenylbenzyl)sulfonyl-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)S(=O)(=O)CC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)S(=O)(=O)CC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C24H28N4O3S/c29-32(30,17-19-10-4-5-12-21(19)18-8-2-1-3-9-18)24-27-26-23(22-13-6-14-25-22)28(24)16-20-11-7-15-31-20/h1-5,8-10,12,20,22,25H,6-7,11,13-17H2