methyl 5-azanyl-1-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(2-thienylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(thiophen-2-ylmethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-thenylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CS3)N

InChI

InChI=1S/C17H16N4O3S/c1-24-17(23)14-10-20-21(15(14)18)12-6-4-11(5-7-12)16(22)19-9-13-3-2-8-25-13/h2-8,10H,9,18H2,1H3,(H,19,22)