N-[3-ethanoyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]ethanamide

Systemtic Name: N-[3-ethanoyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]ethanamide Openeye Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]acetamide CAS Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-4-pyrazolyl]-2H-1,3,4-thiadiazol-5-yl]acetamide IUPAC Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]acetamide Traditional Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]acetamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-8-10-17(11-9-16)27(30)31)23-19(18)15-6-4-3-5-7-15/h3-12,20H,1-2H3,(H,22,24,28)