3-(dithiophen-2-ylmethylamino)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(dithiophen-2-ylmethylamino)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[bis(2-thienyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-(dithiophen-2-ylmethylamino)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(dithiophen-2-ylmethylamino)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[bis(2-thienyl)methylamino]-1H-pyrazole-5-carboxylic acid Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=CS2)NC3=NNC(=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=CS2)NC3=NNC(=C3)C(=O)O

InChI

InChI=1S/C13H11N3O2S2/c17-13(18)8-7-11(16-15-8)14-12(9-3-1-5-19-9)10-4-2-6-20-10/h1-7,12H,(H,17,18)(H2,14,15,16)