5-chloranyl-N-ethyl-4-isothiocyanato-2-oxidanyl-benzamide

Systemtic Name: 5-chloranyl-N-ethyl-4-isothiocyanato-2-oxidanyl-benzamide Openeye Name: 5-chloro-N-ethyl-2-hydroxy-4-isothiocyanato-benzamide CAS Name: 5-chloro-N-ethyl-2-hydroxy-4-isothiocyanatobenzamide IUPAC Name: 5-chloro-N-ethyl-2-hydroxy-4-isothiocyanatobenzamide Traditional Name: 5-chloro-N-ethyl-2-hydroxy-4-isothiocyanato-benzamide Formula: C10H9ClN2O2S MolecularWeight: 256.70866

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1O)N=C=S)Cl

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1O)N=C=S)Cl

InChI

InChI=1S/C10H9ClN2O2S/c1-2-12-10(15)6-3-7(11)8(13-5-16)4-9(6)14/h3-4,14H,2H2,1H3,(H,12,15)