N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-[(2,6-dimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C25H24BrN3O2S MolecularWeight: 510.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=C(C=CC=C4C)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=C(C=CC=C4C)C)Br

InChI

InChI=1S/C25H24BrN3O2S/c1-16-6-4-9-19(10-16)12-29-13-21(26)24(28-29)27-25(30)22-11-20(15-32-22)14-31-23-17(2)7-5-8-18(23)3/h4-11,13,15H,12,14H2,1-3H3,(H,27,28,30)