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

Systemtic Name: sodium 2-ethylsulfanyl-1-(phenylmethyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: sodium 1-benzyl-2-ethylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: sodium 2-(ethylthio)-1-(phenylmethyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate IUPAC Name: sodium 1-benzyl-2-ethylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: sodium 1-benzyl-2-(ethylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylate Formula: C15H14N3NaO2S MolecularWeight: 323.34533

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H15N3O2S.Na/c1-2-21-15-17-13-12(8-11(16-13)14(19)20)18(15)9-10-6-4-3-5-7-10;/h3-8,16H,2,9H2,1H3,(H,19,20);/q;+1/p-1