3-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-chlorophenyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-tert-butylbenzyl)sulfonyl-4-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=C(C=C3)Cl)C4CCCN4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=C(C=C3)Cl)C4CCCN4

InChI

InChI=1S/C23H27ClN4O2S/c1-23(2,3)17-8-6-16(7-9-17)15-31(29,30)22-27-26-21(20-5-4-14-25-20)28(22)19-12-10-18(24)11-13-19/h6-13,20,25H,4-5,14-15H2,1-3H3