N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide Formula: C14H13N5O3S MolecularWeight: 331.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

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