1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide CAS Name: 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-triazolecarboxamide IUPAC Name: 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-methyl-triazole-4-carboxamide Formula: C12H11N5O3S2 MolecularWeight: 337.37744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=C(N=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C12H11N5O3S2/c1-17-6-9(15-16-17)11(18)14-12-13-8-4-3-7(22(2,19)20)5-10(8)21-12/h3-6H,1-2H3,(H,13,14,18)