N-[3-(2-chlorophenyl)-5-diethoxyphosphinothioylsulfanyl-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine

Systemtic Name: N-[3-(2-chlorophenyl)-5-diethoxyphosphinothioylsulfanyl-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine Openeye Name: N-[3-(2-chlorophenyl)-5-diethoxyphosphinothioylsulfanyl-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine CAS Name: N-[3-(2-chlorophenyl)-5-(diethoxyphosphinothioylthio)-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine IUPAC Name: N-[3-(2-chlorophenyl)-5-diethoxyphosphinothioylsulfanyl-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine Traditional Name: (E)-[3-(2-chlorophenyl)-5-(diethoxythiophosphorylthio)-1,2,4-triazol-4-yl]-(4-nitrobenzylidene)amine Formula: C19H19ClN5O4PS2 MolecularWeight: 511.942021

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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=C3Cl

Isomeric SMILES

CCOP(=S)(OCC)SC1=NN=C(N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H19ClN5O4PS2/c1-3-28-30(31,29-4-2)32-19-23-22-18(16-7-5-6-8-17(16)20)24(19)21-13-14-9-11-15(12-10-14)25(26)27/h5-13H,3-4H2,1-2H3/b21-13+