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

Systemtic Name: 4-ethyl-3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-phenylphenyl)methylsulfonyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-phenylphenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-phenylbenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)CC2=CC=CC=C2C3=CC=CC=C3)C4CCCN4

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)CC2=CC=CC=C2C3=CC=CC=C3)C4CCCN4

InChI

InChI=1S/C21H24N4O2S/c1-2-25-20(19-13-8-14-22-19)23-24-21(25)28(26,27)15-17-11-6-7-12-18(17)16-9-4-3-5-10-16/h3-7,9-12,19,22H,2,8,13-15H2,1H3