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

Systemtic Name: 1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-propan-2-ylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)methanimine Openeye Name: N-[3-isopropylsulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-1-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methanimine CAS Name: 1-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-[3-(propan-2-ylthio)-5-pyridin-4-yl-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(3-propan-2-ylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[3-(isopropylthio)-5-(4-pyridyl)-1,2,4-triazol-4-yl]-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]amine Formula: C26H22N8O2S MolecularWeight: 510.57028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1N=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC(C)SC1=NN=C(N1/N=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H22N8O2S/c1-18(2)37-26-30-29-25(20-12-14-27-15-13-20)33(26)28-16-21-17-32(22-6-4-3-5-7-22)31-24(21)19-8-10-23(11-9-19)34(35)36/h3-18H,1-2H3/b28-16+