3,4-bis(chloranyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4-dichloro-N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide CAS Name: 3,4-dichloro-N-[4-(isothiocyanatomethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4-dichloro-N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide Formula: C12H7Cl2N3OS2 MolecularWeight: 344.23948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=NC(=CS2)CN=C=S)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=NC(=CS2)CN=C=S)Cl)Cl

InChI

InChI=1S/C12H7Cl2N3OS2/c13-9-2-1-7(3-10(9)14)11(18)17-12-16-8(5-20-12)4-15-6-19/h1-3,5H,4H2,(H,16,17,18)