5-isothiocyanato-4-methoxy-1,3-benzothiazole

Systemtic Name: 5-isothiocyanato-4-methoxy-1,3-benzothiazole Openeye Name: 5-isothiocyanato-4-methoxy-1,3-benzothiazole CAS Name: 5-isothiocyanato-4-methoxy-1,3-benzothiazole IUPAC Name: 5-isothiocyanato-4-methoxy-1,3-benzothiazole Traditional Name: 5-isothiocyanato-4-methoxy-1,3-benzothiazole Formula: C9H6N2OS2 MolecularWeight: 222.28674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N=CS2)N=C=S

Isomeric SMILES

COC1=C(C=CC2=C1N=CS2)N=C=S

InChI

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