N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C12H15N5O4S MolecularWeight: 325.3436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C12H15N5O4S/c1-7-8(2)22-12(13-7)14-10(18)4-5-16-6-9(17(19)20)11(15-16)21-3/h6H,4-5H2,1-3H3,(H,13,14,18)