N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(pyridin-3-ylcarbamothioylamino)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(pyridin-3-ylcarbamothioylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-pyridylcarbamothioylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(pyridin-3-ylcarbamothioylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-pyridylthiocarbamoylamino)benzamide Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CN=CC=C4

InChI

InChI=1S/C24H22N6O2S/c1-16-21(23(32)30(29(16)2)20-11-4-3-5-12-20)28-22(31)17-8-6-9-18(14-17)26-24(33)27-19-10-7-13-25-15-19/h3-15H,1-2H3,(H,28,31)(H2,26,27,33)