ethyl 5-methyl-1-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NN=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NN=CS3)C

InChI

InChI=1S/C16H15N5O3S/c1-3-24-15(23)13-8-18-21(10(13)2)12-6-4-11(5-7-12)14(22)19-16-20-17-9-25-16/h4-9H,3H2,1-2H3,(H,19,20,22)