3-[5-(phenylsulfanylamino)benzimidazol-1-yl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[5-(phenylsulfanylamino)benzimidazol-1-yl]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[5-(phenylsulfanylamino)benzimidazol-1-yl]-3-(3-pyridyl)propanoic acid CAS Name: 3-[5-[(phenylthio)amino]-1-benzimidazolyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[5-(phenylsulfanylamino)benzimidazol-1-yl]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[5-[(phenylthio)amino]benzimidazol-1-yl]-3-(3-pyridyl)propionic acid Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SNC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SNC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O2S/c26-21(27)12-20(15-5-4-10-22-13-15)25-14-23-18-11-16(8-9-19(18)25)24-28-17-6-2-1-3-7-17/h1-11,13-14,20,24H,12H2,(H,26,27)