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3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid

Systemtic Name:3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid
Openeye Name:3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid
CAS Name:3-(4,5-dihydro-1H-imidazol-2-ylthio)-1H-indole-2-carboxylic acid
IUPAC Name:3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole-2-carboxylic acid
Traditional Name:3-(2-imidazolin-2-ylthio)-1H-indole-2-carboxylic acid
Formula: C12H11N3O2S
MolecularWeight: 261.29964
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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SC2=C(NC3=CC=CC=C32)C(=O)O


Isomeric SMILES

C1CN=C(N1)SC2=C(NC3=CC=CC=C32)C(=O)O


InChI

InChI=1S/C12H11N3O2S/c16-11(17)9-10(18-12-13-5-6-14-12)7-3-1-2-4-8(7)15-9/h1-4,15H,5-6H2,(H,13,14)(H,16,17)


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