1-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine

Systemtic Name: 1-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine Openeye Name: 1-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine CAS Name: 1-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-[2-nitro-5-(propylthio)phenyl]methanimine IUPAC Name: 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(2-nitro-5-propylsulfanylphenyl)methanimine Traditional Name: [3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene-[2-nitro-5-(propylthio)phenyl]amine Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-2-14-35-22-12-13-24(31(32)33)23(16-22)28-17-20-18-30(21-9-4-3-5-10-21)29-27(20)26-15-19-8-6-7-11-25(19)34-26/h3-13,15-18H,2,14H2,1H3