ethyl 2-[3-(4-bromophenyl)-5-(2-chloranylethanoylamino)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(4-bromophenyl)-5-(2-chloranylethanoylamino)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(4-bromophenyl)-5-[(2-chloroacetyl)amino]pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-(4-bromophenyl)-5-[(2-chloro-1-oxoethyl)amino]-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromophenyl)-5-[(2-chloroacetyl)amino]pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(4-bromophenyl)-5-[(2-chloroacetyl)amino]pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C17H14BrClN4O3S MolecularWeight: 469.74006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C3=CC=C(C=C3)Br)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C3=CC=C(C=C3)Br)NC(=O)CCl

InChI

InChI=1S/C17H14BrClN4O3S/c1-2-26-16(25)13-9-27-17(20-13)23-14(21-15(24)8-19)7-12(22-23)10-3-5-11(18)6-4-10/h3-7,9H,2,8H2,1H3,(H,21,24)