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

Systemtic Name: ethyl 5-methyl-1-[4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)C

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)C

InChI

InChI=1S/C21H25N5O3S/c1-5-14(6-2)19-24-25-21(30-19)23-18(27)15-8-10-16(11-9-15)26-13(4)17(12-22-26)20(28)29-7-3/h8-12,14H,5-7H2,1-4H3,(H,23,25,27)