N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C13H12N6O3S/c1-7-3-4-9-10(5-7)23-13(15-9)16-11(20)6-18-8(2)14-12(17-18)19(21)22/h3-5H,6H2,1-2H3,(H,15,16,20)