N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine CAS Name: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine Traditional Name: [diphenoxyphosphoryl-(4-nitrophenyl)methyl]-(5-ethyl-1,3,4-thiadiazol-2-yl)amine Formula: C23H21N4O5PS MolecularWeight: 496.475401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N4O5PS/c1-2-21-25-26-23(34-21)24-22(17-13-15-18(16-14-17)27(28)29)33(30,31-19-9-5-3-6-10-19)32-20-11-7-4-8-12-20/h3-16,22H,2H2,1H3,(H,24,26)