6-isothiocyanato-5-methoxy-1,3-benzothiazole

Systemtic Name: 6-isothiocyanato-5-methoxy-1,3-benzothiazole Openeye Name: 6-isothiocyanato-5-methoxy-1,3-benzothiazole CAS Name: 6-isothiocyanato-5-methoxy-1,3-benzothiazole IUPAC Name: 6-isothiocyanato-5-methoxy-1,3-benzothiazole Traditional Name: 6-isothiocyanato-5-methoxy-1,3-benzothiazole Formula: C9H6N2OS2 MolecularWeight: 222.28674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CS2)N=C=S

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CS2)N=C=S

InChI

InChI=1S/C9H6N2OS2/c1-12-8-2-7-9(14-5-11-7)3-6(8)10-4-13/h2-3,5H,1H3