prop-2-ynyl N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate

Systemtic Name: prop-2-ynyl N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate Openeye Name: prop-2-ynyl N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate CAS Name: N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate Traditional Name: N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamic acid propargyl ester Formula: C12H7N3O2S2 MolecularWeight: 289.33288

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)SC#N

Isomeric SMILES

C#CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)SC#N

InChI

InChI=1S/C12H7N3O2S2/c1-2-5-17-12(16)15-11-14-9-4-3-8(18-7-13)6-10(9)19-11/h1,3-4,6H,5H2,(H,14,15,16)