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

Systemtic Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)thio]-6-mesyl-1,3-benzothiazole Formula: C12H12N4O2S3 MolecularWeight: 340.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C12H12N4O2S3/c1-3-11-13-7-16(15-11)20-12-14-9-5-4-8(21(2,17)18)6-10(9)19-12/h4-7H,3H2,1-2H3