3-chloranyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzothiophene-2-carboxamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-13-18(14(2)26(3)25-13)12-15-8-10-16(11-9-15)24-22(27)21-20(23)17-6-4-5-7-19(17)28-21/h4-11H,12H2,1-3H3,(H,24,27)