4,5-bis(bromanyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: 4,5-dibromo-N-[2-(m-tolylmethyl)pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 4,5-dibromo-N-[2-[(3-methylphenyl)methyl]-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4,5-dibromo-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 4,5-dibromo-N-[2-(3-methylbenzyl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C16H13Br2N3OS MolecularWeight: 455.16692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C16H13Br2N3OS/c1-10-3-2-4-11(7-10)9-21-14(5-6-19-21)20-16(22)13-8-12(17)15(18)23-13/h2-8H,9H2,1H3,(H,20,22)