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

Systemtic Name: 1-(phenylmethyl)-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid Openeye Name: 1-benzyl-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid CAS Name: 1-(phenylmethyl)-2-(propylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid IUPAC Name: 1-benzyl-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid Traditional Name: 1-benzyl-2-(propylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)O

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(N2)C(=O)O

InChI

InChI=1S/C16H17N3O2S/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)