2-(isocyanatomethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(isocyanatomethylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(isocyanatomethylsulfanyl)-1,3-benzothiazole CAS Name: 2-(isocyanatomethylthio)-1,3-benzothiazole IUPAC Name: 2-(isocyanatomethylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(isocyanatomethylthio)-1,3-benzothiazole Formula: C9H6N2OS2 MolecularWeight: 222.28674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCN=C=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCN=C=O

InChI

InChI=1S/C9H6N2OS2/c12-5-10-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2