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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-5-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-5-nitro-pyrazol-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-5-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methyl-5-nitro-pyrazol-1-yl)acetamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S/c1-8-3-4-10-11(5-8)23-14(15-10)16-12(20)7-18-13(19(21)22)6-9(2)17-18/h3-6H,7H2,1-2H3,(H,15,16,20)