[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]methanone Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c1-15-19(23-26(22-15)17-7-4-3-5-8-17)21(28)25-14-6-13-24(25)20(27)16-9-11-18(12-10-16)31(2,29)30/h3-5,7-12H,6,13-14H2,1-2H3