sodium 2-methylsulfanyl-1-(phenylmethyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

Systemtic Name: sodium 2-methylsulfanyl-1-(phenylmethyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: sodium 1-benzyl-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: sodium 2-(methylthio)-1-(phenylmethyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate IUPAC Name: sodium 1-benzyl-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: sodium 1-benzyl-2-(methylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylate Formula: C14H12N3NaO2S MolecularWeight: 309.31875

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

Isomeric SMILES

CSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H13N3O2S.Na/c1-20-14-16-12-11(7-10(15-12)13(18)19)17(14)8-9-5-3-2-4-6-9;/h2-7,15H,8H2,1H3,(H,18,19);/q;+1/p-1