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

Systemtic Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-phenyl-methanimine Openeye Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-phenyl-methanimine CAS Name: N-[3-(diethoxyphosphinothioylthio)-5-phenyl-1,2,4-triazol-4-yl]-1-phenylmethanimine IUPAC Name: N-(3-diethoxyphosphinothioylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-phenylmethanimine Traditional Name: (E)-benzal-[3-(diethoxythiophosphorylthio)-5-phenyl-1,2,4-triazol-4-yl]amine Formula: C19H21N4O2PS2 MolecularWeight: 432.499401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SC1=NN=C(N1N=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOP(=S)(OCC)SC1=NN=C(N1/N=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N4O2PS2/c1-3-24-26(27,25-4-2)28-19-22-21-18(17-13-9-6-10-14-17)23(19)20-15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b20-15+