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

Systemtic Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine CAS Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine Traditional Name: [diphenoxyphosphoryl-(3-nitrophenyl)methyl]-(5-methyl-1,3,4-thiadiazol-2-yl)amine Formula: C22H19N4O5PS MolecularWeight: 482.448821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)NC(C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N4O5PS/c1-16-24-25-22(33-16)23-21(17-9-8-10-18(15-17)26(27)28)32(29,30-19-11-4-2-5-12-19)31-20-13-6-3-7-14-20/h2-15,21H,1H3,(H,23,25)