2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN5O4S/c1-11-15-9-16(30-18(15)24(22-11)14-5-3-13(20)4-6-14)19(26)29-8-7-23-12(2)21-10-17(23)25(27)28/h3-6,9-10H,7-8H2,1-2H3