1,3-benzothiazol-2-ylsulfonylmethyl thiocyanate

Systemtic Name: 1,3-benzothiazol-2-ylsulfonylmethyl thiocyanate Openeye Name: 1,3-benzothiazol-2-ylsulfonylmethyl thiocyanate CAS Name: thiocyanic acid 1,3-benzothiazol-2-ylsulfonylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfonylmethyl thiocyanate Traditional Name: thiocyanic acid 1,3-benzothiazol-2-ylsulfonylmethyl ester Formula: C9H6N2O2S3 MolecularWeight: 270.35114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CSC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CSC#N

InChI

InChI=1S/C9H6N2O2S3/c10-5-14-6-16(12,13)9-11-7-3-1-2-4-8(7)15-9/h1-4H,6H2