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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N6O3S/c1-4-5-6-7-17-22-23-20(30-17)21-19(27)16-10-8-15(9-11-16)12-25-14(3)18(26(28)29)13(2)24-25/h8-11H,4-7,12H2,1-3H3,(H,21,23,27)