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

Systemtic Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [diphenoxyphosphoryl-(3-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)17-9-7-8-16(14-17)20(23-21-24-22-15-32-21)31(28,29-18-10-3-1-4-11-18)30-19-12-5-2-6-13-19/h1-15,20H,(H,23,24)