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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O3S/c29-19(23-22-25-24-21(32-22)15-6-7-15)12-16-13-27(17-4-2-1-3-5-17)26-20(16)14-8-10-18(11-9-14)28(30)31/h1-5,8-11,13,15H,6-7,12H2,(H,23,25,29)