N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-thiazolin-2-yl)benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NCCS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NCCS3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-10-14(21(23)24)11(2)20(19-10)9-12-3-5-13(6-4-12)15(22)18-16-17-7-8-25-16/h3-6H,7-9H2,1-2H3,(H,17,18,22)