N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C30H25N5O2S2 MolecularWeight: 551.6818

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C30H25N5O2S2/c36-27-20-26(34-35(27)24-14-8-3-9-15-24)33-29(37)28(21-10-4-1-5-11-21)39-25-18-16-23(17-19-25)32-30(38)31-22-12-6-2-7-13-22/h1-19,28H,20H2,(H2,31,32,38)(H,33,34,37)