5-(4-carbamimidoylphenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide

Systemtic Name: 5-(4-carbamimidoylphenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide Openeye Name: 5-(4-carbamimidoylphenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamidine CAS Name: 5-(4-carbamimidoylphenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide IUPAC Name: 5-(4-carbamimidoylphenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide Traditional Name: 3-(4-amidinophenyl)-4-phenyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyrazoline-1-carboxamidine Formula: C24H21F3N6O2S MolecularWeight: 514.52275

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=NN1/C(=N/S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)/N)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C24H21F3N6O2S/c25-24(26,27)18-7-4-8-19(13-18)36(34,35)32-23(30)33-14-20(15-5-2-1-3-6-15)21(31-33)16-9-11-17(12-10-16)22(28)29/h1-13,20H,14H2,(H3,28,29)(H2,30,32)