1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)O

InChI

InChI=1S/C13H16N4O2S/c18-11(19)10-6-5-9-17(10)13-15-14-12(20-13)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2,(H,18,19)