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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-tert-butylbenzyl)sulfonyl-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C)C3CCCN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C)C3CCCN3

InChI

InChI=1S/C18H26N4O2S/c1-18(2,3)14-9-7-13(8-10-14)12-25(23,24)17-21-20-16(22(17)4)15-6-5-11-19-15/h7-10,15,19H,5-6,11-12H2,1-4H3