N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3S/c1-7-2-3-9-8(4-7)14-12(22-9)15-10(19)5-17-6-13-11(16-17)18(20)21/h2-4,6H,5H2,1H3,(H,14,15,19)