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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N6O3S/c1-5-15(6-2)19-22-23-20(30-19)21-18(27)16-9-7-14(8-10-16)11-25-13(4)17(26(28)29)12(3)24-25/h7-10,15H,5-6,11H2,1-4H3,(H,21,23,27)