N-[5-[C-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbonimidoyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-[C-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbonimidoyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 5-benzamido-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3,4-thiadiazole-2-carboximidoyl cyanide CAS Name: N-[5-[cyano-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 5-benzamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,4-thiadiazole-2-carboximidoyl cyanide Traditional Name: N-[5-[C-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbonimidoyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H17N7O2S MolecularWeight: 443.48108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C(C#N)C3=NN=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C(C#N)C3=NN=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N7O2S/c1-14-18(21(31)29(28(14)2)16-11-7-4-8-12-16)24-17(13-23)20-26-27-22(32-20)25-19(30)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,25,27,30)