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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N6O3S/c1-4-5-6-16-21-22-19(29-16)20-18(26)15-9-7-14(8-10-15)11-24-13(3)17(25(27)28)12(2)23-24/h7-10H,4-6,11H2,1-3H3,(H,20,22,26)