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

Systemtic Name: N-[diphenoxyphosphoryl(phenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl(phenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[diphenoxyphosphoryl(phenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl(phenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [diphenoxyphosphoryl(phenyl)methyl]-(1,3,4-thiadiazol-2-yl)amine Formula: C21H18N3O3PS MolecularWeight: 423.424681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=NN=CS2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=NN=CS2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H18N3O3PS/c25-28(26-18-12-6-2-7-13-18,27-19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)23-21-24-22-16-29-21/h1-16,20H,(H,23,24)