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

Systemtic Name: 1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanimine Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methanimine CAS Name: 1-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanimine IUPAC Name: 1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methanimine Traditional Name: (E)-(5-isopropyl-1,3,4-thiadiazol-2-yl)-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]amine Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)N=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)/N=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-14(2)20-23-24-21(30-20)22-12-16-13-26(17-6-4-3-5-7-17)25-19(16)15-8-10-18(11-9-15)27(28)29/h3-14H,1-2H3/b22-12+