[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl thiocyanate

Systemtic Name: [5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl thiocyanate Openeye Name: [5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl thiocyanate CAS Name: thiocyanic acid [5-[anilino(oxo)methyl]-2,3-dihydro-1,4-oxathiin-6-yl]methyl ester IUPAC Name: [5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl thiocyanate Traditional Name: thiocyanic acid [5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(O1)CSC#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CSC(=C(O1)CSC#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O2S2/c14-9-18-8-11-12(19-7-6-17-11)13(16)15-10-4-2-1-3-5-10/h1-5H,6-8H2,(H,15,16)