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

Systemtic Name: sodium 1-(phenylmethyl)-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: sodium 1-benzyl-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: sodium 1-(phenylmethyl)-2-(propylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate IUPAC Name: sodium 1-benzyl-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: sodium 1-benzyl-2-(propylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylate Formula: C16H16N3NaO2S MolecularWeight: 337.37191

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H17N3O2S.Na/c1-2-8-22-16-18-14-13(9-12(17-14)15(20)21)19(16)10-11-6-4-3-5-7-11;/h3-7,9,17H,2,8,10H2,1H3,(H,20,21);/q;+1/p-1