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

Systemtic Name: ethyl 5-methyl-1-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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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=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5O3S/c1-3-30-21(29)18-13-23-27(14(18)2)17-11-9-15(10-12-17)19(28)24-22-26-25-20(31-22)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,24,26,28)