ethyl 5-(2-phenyl-4-piperazin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-phenyl-4-piperazin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(2-phenyl-4-piperazin-1-yl-thiazol-5-yl)-1H-pyrazole-3-carboxylate CAS Name: 5-[2-phenyl-4-(1-piperazinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-phenyl-4-piperazin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate Traditional Name: 5-(2-phenyl-4-piperazino-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C19H21N5O2S/c1-2-26-19(25)15-12-14(22-23-15)16-17(24-10-8-20-9-11-24)21-18(27-16)13-6-4-3-5-7-13/h3-7,12,20H,2,8-11H2,1H3,(H,22,23)