N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[[6-[(4-fluorophenyl)methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-[(4-fluorobenzylidene)amino]-1,3-benzothiazol-2-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C27H22FN5O2S2 MolecularWeight: 531.624283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)N=CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)N=CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H22FN5O2S2/c1-17-25(26(35)33(32(17)2)21-6-4-3-5-7-21)31-24(34)16-36-27-30-22-13-12-20(14-23(22)37-27)29-15-18-8-10-19(28)11-9-18/h3-15H,16H2,1-2H3,(H,31,34)