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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC(=NS3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC(=NS3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3S/c1-13-18(27(29)30)14(2)26(24-13)12-15-8-10-17(11-9-15)20(28)23-21-22-19(25-31-21)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,23,25,28)