[(E)-[azanyl(pyridin-3-yl)methylidene]amino] 2-(phenylmethylsulfanyl)benzoate

Systemtic Name: [(E)-[azanyl(pyridin-3-yl)methylidene]amino] 2-(phenylmethylsulfanyl)benzoate Openeye Name: [(E)-[amino(3-pyridyl)methylene]amino] 2-benzylsulfanylbenzoate CAS Name: 2-(phenylmethylthio)benzoic acid [(E)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-benzylsulfanylbenzoate Traditional Name: 2-(benzylthio)benzoic acid [(E)-[amino(3-pyridyl)methylene]amino] ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)ON=C(C3=CN=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O/N=C(\C3=CN=CC=C3)/N

InChI

InChI=1S/C20H17N3O2S/c21-19(16-9-6-12-22-13-16)23-25-20(24)17-10-4-5-11-18(17)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,21,23)