(3S)-5-(4-methylphenyl)-3-(3-nitrophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=S)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=S)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

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/h2-15,22,25H,1H3,(H,24,30)/t22-/m0/s1