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

Systemtic Name: 1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Openeye Name: 1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid CAS Name: 1-[5-(4-cyclohexyl-1-piperazinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Traditional Name: 1-[5-(4-cyclohexylpiperazino)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)N4C=CC=C4C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)N4C=CC=C4C(=O)O

InChI

InChI=1S/C17H23N5O2S/c23-15(24)14-7-4-8-22(14)17-19-18-16(25-17)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H,23,24)