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

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S2/c1-17(24(32)28-22-16-23(31)30(29-22)20-10-6-3-7-11-20)34-21-14-12-19(13-15-21)27-25(33)26-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H2,26,27,33)(H,28,29,32)