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

Systemtic Name: N-[diphenoxyphosphoryl-(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl-(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[diphenoxyphosphoryl-(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl-(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [diphenoxyphosphoryl-(2-nitrophenyl)methyl]-(1,3,4-thiadiazol-2-yl)amine Formula: C21H17N4O5PS MolecularWeight: 468.422241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=CC=C2[N+](=O)[O-])NC3=NN=CS3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=CC=C2[N+](=O)[O-])NC3=NN=CS3)OC4=CC=CC=C4

InChI

InChI=1S/C21H17N4O5PS/c26-25(27)19-14-8-7-13-18(19)20(23-21-24-22-15-32-21)31(28,29-16-9-3-1-4-10-16)30-17-11-5-2-6-12-17/h1-15,20H,(H,23,24)