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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O3S/c1-4-14-19-20-17(27-14)18-16(24)13-7-5-12(6-8-13)9-22-11(3)15(23(25)26)10(2)21-22/h5-8H,4,9H2,1-3H3,(H,18,20,24)