2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-iodanylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-iodanylphenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-iodophenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3-iodobenzylidene)amino]acetamide Formula: C16H12IN3O2S MolecularWeight: 437.25485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)N/N=C/C3=CC(=CC=C3)I

InChI

InChI=1S/C16H12IN3O2S/c17-12-5-3-4-11(8-12)9-18-20-15(21)10-23-16-19-13-6-1-2-7-14(13)22-16/h1-9H,10H2,(H,20,21)/b18-9+