(4-chloranyl-2-sulfanyl-phenyl)-isocyanato-methanone

Systemtic Name: (4-chloranyl-2-sulfanyl-phenyl)-isocyanato-methanone Openeye Name: 4-chloro-2-sulfanyl-benzoyl isocyanate CAS Name: (4-chloro-2-mercaptophenyl)-isocyanatomethanone IUPAC Name: 4-chloro-2-sulfanylbenzoyl isocyanate Traditional Name: (4-chloro-2-mercapto-phenyl)-isocyanato-methanone Formula: C8H4ClNO2S MolecularWeight: 213.64086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)S)C(=O)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1Cl)S)C(=O)N=C=O

InChI

InChI=1S/C8H4ClNO2S/c9-5-1-2-6(7(13)3-5)8(12)10-4-11/h1-3,13H