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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C22H19N4O5PS/c1-16-24-25-22(33-16)23-21(17-12-14-18(15-13-17)26(27)28)32(29,30-19-8-4-2-5-9-19)31-20-10-6-3-7-11-20/h2-15,21H,1H3,(H,23,25)