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

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-16-7-9-17(10-8-16)12-27-13-20(24)22(26-27)25-23(28)21-11-18(15-30-21)14-29-19-5-3-2-4-6-19/h2-11,13,15H,12,14H2,1H3,(H,25,26,28)