2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-(veratrylthio)-1,3-benzothiazole Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C16H15NO2S2/c1-18-13-8-7-11(9-14(13)19-2)10-20-16-17-12-5-3-4-6-15(12)21-16/h3-9H,10H2,1-2H3