(3-oxidanylidene-1,2-benzothiazol-4-yl)sulfanylmethyl thiocyanate

Systemtic Name: (3-oxidanylidene-1,2-benzothiazol-4-yl)sulfanylmethyl thiocyanate Openeye Name: (3-oxo-1,2-benzothiazol-4-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3-oxo-1,2-benzothiazol-4-yl)thio]methyl ester IUPAC Name: (3-oxo-1,2-benzothiazol-4-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(3-keto-1,2-benzothiazol-4-yl)thio]methyl ester Formula: C9H6N2OS3 MolecularWeight: 254.35174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCSC#N)C(=O)NS2

Isomeric SMILES

C1=CC2=C(C(=C1)SCSC#N)C(=O)NS2

InChI

InChI=1S/C9H6N2OS3/c10-4-13-5-14-6-2-1-3-7-8(6)9(12)11-15-7/h1-3H,5H2,(H,11,12)