3-chloranyl-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]benzothiophene-2-carboxamide Formula: C21H16Cl2FN3OS MolecularWeight: 448.340643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16Cl2FN3OS/c1-11-19(12(2)27(26-11)10-14-15(22)7-5-8-16(14)24)25-21(28)20-18(23)13-6-3-4-9-17(13)29-20/h3-9H,10H2,1-2H3,(H,25,28)