N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C20H17BrClN5OS MolecularWeight: 490.80388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)Br

InChI

InChI=1S/C20H17BrClN5OS/c1-13-2-4-14(5-3-13)8-27-11-17(21)19(25-27)24-20(28)18-6-15(12-29-18)9-26-10-16(22)7-23-26/h2-7,10-12H,8-9H2,1H3,(H,24,25,28)