3-(3-nitrophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(3-nitrophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(3-nitrophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(3-nitrophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(3-nitrophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(3-nitrophenyl)-N,3-diphenyl-2-pyrazoline-1-carbothioamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O2S/c27-26(28)19-13-7-10-17(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(29)23-18-11-5-2-6-12-18/h1-14,21H,15H2,(H,23,29)