methyl 6-[(3-methylphenyl)methyl]-1-phenyl-3-thiophen-2-yl-pyrrolo[2,3-c]pyrazole-5-carboxylate

Systemtic Name: methyl 6-[(3-methylphenyl)methyl]-1-phenyl-3-thiophen-2-yl-pyrrolo[2,3-c]pyrazole-5-carboxylate Openeye Name: methyl 6-(m-tolylmethyl)-1-phenyl-3-(2-thienyl)pyrrolo[2,3-c]pyrazole-5-carboxylate CAS Name: 6-[(3-methylphenyl)methyl]-1-phenyl-3-thiophen-2-yl-5-pyrrolo[2,3-c]pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3-methylphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrrolo[2,3-c]pyrazole-5-carboxylate Traditional Name: 6-(3-methylbenzyl)-1-phenyl-3-(2-thienyl)pyrrolo[2,3-c]pyrazole-5-carboxylic acid methyl ester Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC3=C2N(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC3=C2N(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H21N3O2S/c1-17-8-6-9-18(14-17)16-27-21(25(29)30-2)15-20-23(22-12-7-13-31-22)26-28(24(20)27)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3