(3-chlorophenyl)-isothiocyanato-methanone

Systemtic Name: (3-chlorophenyl)-isothiocyanato-methanone Openeye Name: 3-chlorobenzoyl isothiocyanate CAS Name: (3-chlorophenyl)-isothiocyanatomethanone IUPAC Name: 3-chlorobenzoyl isothiocyanate Traditional Name: (3-chlorophenyl)-isothiocyanato-methanone Formula: C8H4ClNOS MolecularWeight: 197.64146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4ClNOS/c9-7-3-1-2-6(4-7)8(11)10-5-12/h1-4H