3-[(3-methoxyphenyl)methylsulfonyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-methoxyphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylsulfonyl]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-methoxyphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-m-anisylsulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CS(=O)(=O)C2=NN=C(N2CC3=CC=CC=C3)C4CCCN4

Isomeric SMILES

COC1=CC=CC(=C1)CS(=O)(=O)C2=NN=C(N2CC3=CC=CC=C3)C4CCCN4

InChI

InChI=1S/C21H24N4O3S/c1-28-18-10-5-9-17(13-18)15-29(26,27)21-24-23-20(19-11-6-12-22-19)25(21)14-16-7-3-2-4-8-16/h2-5,7-10,13,19,22H,6,11-12,14-15H2,1H3