(3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-3-(3-nitrophenyl)-N-phenyl-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-5-(4-methylphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-5-(3-nitrophenyl)-N-phenyl-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-16-10-12-17(13-11-16)21-15-22(18-6-5-9-20(14-18)27(28)29)26(25-21)23(30)24-19-7-3-2-4-8-19/h2-14,22H,15H2,1H3,(H,24,30)/t22-/m1/s1