(3R)-5-[4-(ethylsulfonylamino)phenyl]-3-(furan-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-[4-(ethylsulfonylamino)phenyl]-3-(furan-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-5-[4-(ethylsulfonylamino)phenyl]-3-(2-furyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-[4-(ethylsulfonylamino)phenyl]-3-(2-furanyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-5-[4-(ethylsulfonylamino)phenyl]-3-(furan-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-3-[4-(esylamino)phenyl]-5-(2-furyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S2/c1-2-31(27,28)25-18-12-10-16(11-13-18)19-15-20(21-9-6-14-29-21)26(24-19)22(30)23-17-7-4-3-5-8-17/h3-14,20,25H,2,15H2,1H3,(H,23,30)/t20-/m1/s1