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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H17BrClN3OS MolecularWeight: 474.80118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17BrClN3OS/c1-12-19(13(2)26(25-12)11-14-7-9-15(22)10-8-14)24-21(27)20-18(23)16-5-3-4-6-17(16)28-20/h3-10H,11H2,1-2H3,(H,24,27)