N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide CAS Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: N-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiophene-2-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O2S/c1-16-22(24-23(27)21-12-7-13-29-21)17(2)26(25-16)15-18-8-6-11-20(14-18)28-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H,24,27)