(4-sulfanyl-1,3-benzothiazol-2-yl)methyl thiocyanate

Systemtic Name: (4-sulfanyl-1,3-benzothiazol-2-yl)methyl thiocyanate Openeye Name: (4-sulfanyl-1,3-benzothiazol-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (4-mercapto-1,3-benzothiazol-2-yl)methyl ester IUPAC Name: (4-sulfanyl-1,3-benzothiazol-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-mercapto-1,3-benzothiazol-2-yl)methyl ester Formula: C9H6N2S3 MolecularWeight: 238.35234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S)N=C(S2)CSC#N

Isomeric SMILES

C1=CC2=C(C(=C1)S)N=C(S2)CSC#N

InChI

InChI=1S/C9H6N2S3/c10-5-13-4-8-11-9-6(12)2-1-3-7(9)14-8/h1-3,12H,4H2