3-azanyl-4-(pyridin-4-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-azanyl-4-(pyridin-4-ylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-4-(4-pyridylmethylsulfanyl)benzoic acid CAS Name: 3-amino-4-(pyridin-4-ylmethylthio)benzoic acid IUPAC Name: 3-amino-4-(pyridin-4-ylmethylsulfanyl)benzoic acid Traditional Name: 3-amino-4-(4-pyridylmethylthio)benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N)SCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N)SCC2=CC=NC=C2

InChI

InChI=1S/C13H12N2O2S/c14-11-7-10(13(16)17)1-2-12(11)18-8-9-3-5-15-6-4-9/h1-7H,8,14H2,(H,16,17)