3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(1-naphthylmethylsulfanyl)benzimidazol-1-yl]propanoate CAS Name: 3-[2-(1-naphthalenylmethylthio)-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(1-naphthylmethylthio)benzimidazol-1-yl]propionate Formula: C21H17N2O2S- MolecularWeight: 361.43688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CCC(=O)[O-]

InChI

InChI=1S/C21H18N2O2S/c24-20(25)12-13-23-19-11-4-3-10-18(19)22-21(23)26-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)/p-1