N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine

Systemtic Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine Openeye Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine CAS Name: N-[3-(diethoxyphosphinothioylthio)-5-phenyl-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine IUPAC Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine Traditional Name: (E)-[3-(diethoxythiophosphorylthio)-5-phenyl-1,2,4-triazol-4-yl]-(4-nitrobenzylidene)amine Formula: C19H20N5O4PS2 MolecularWeight: 477.496961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SC1=NN=C(N1N=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOP(=S)(OCC)SC1=NN=C(N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N5O4PS2/c1-3-27-29(30,28-4-2)31-19-22-21-18(16-8-6-5-7-9-16)23(19)20-14-15-10-12-17(13-11-15)24(25)26/h5-14H,3-4H2,1-2H3/b20-14+