2-(3-bromanylphenoxy)ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O3S/c1-14-18-13-19(28-20(18)24(23-14)16-7-3-2-4-8-16)21(25)27-11-10-26-17-9-5-6-15(22)12-17/h2-9,12-13H,10-11H2,1H3