(3S)-5-(5-methyl-2-methylsulfonyl-thiophen-3-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole

Systemtic Name: (3S)-5-(5-methyl-2-methylsulfonyl-thiophen-3-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole Openeye Name: (3S)-5-(5-methyl-2-methylsulfonyl-3-thienyl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole CAS Name: (3S)-5-(5-methyl-2-methylsulfonyl-3-thiophenyl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole IUPAC Name: (3S)-5-(5-methyl-2-methylsulfonylthiophen-3-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole Traditional Name: (5S)-3-(2-mesyl-5-methyl-3-thienyl)-1-(4-nitrophenyl)-5-phenyl-2-pyrazoline Formula: C21H19N3O4S2 MolecularWeight: 441.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)S(=O)(=O)C)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)S(=O)(=O)C)C2=NN([C@@H](C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-12,20H,13H2,1-2H3/t20-/m0/s1