1-[(6-chloranyl-1-benzothiophen-2-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1-benzothiophen-2-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[(6-chlorobenzothiophen-2-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-[(6-chloro-1-benzothiophen-2-yl)methyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(6-chloro-1-benzothiophen-2-yl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-[(6-chlorobenzothiophen-2-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C17H11ClN2O2S2 MolecularWeight: 374.86444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NN2CC3=CC4=C(S3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NN2CC3=CC4=C(S3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C17H11ClN2O2S2/c18-11-4-3-10-6-12(24-16(10)7-11)9-20-14(15-2-1-5-23-15)8-13(19-20)17(21)22/h1-8H,9H2,(H,21,22)