N-[(3-bromophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-3-(2,5-dimethyl-1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-(3-bromobenzyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C21H18BrN3OS/c1-13-8-9-14(2)25(13)18-17-7-4-10-23-21(17)27-19(18)20(26)24-12-15-5-3-6-16(22)11-15/h3-11H,12H2,1-2H3,(H,24,26)