2-[(2-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[(2-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-(2-ethyltetrazol-5-yl)sulfanyl-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(2-ethyl-5-tetrazolyl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-(2-ethyltetrazol-5-yl)sulfanyl-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(2-ethyltetrazol-5-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C11H11N5O2S3 MolecularWeight: 341.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1N=C(N=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C11H11N5O2S3/c1-3-16-14-10(13-15-16)20-11-12-8-5-4-7(21(2,17)18)6-9(8)19-11/h4-6H,3H2,1-2H3