4-[2-azanylidene-5-di(propan-2-yloxy)phosphoryl-1,3,4-thiadiazol-3-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[2-azanylidene-5-di(propan-2-yloxy)phosphoryl-1,3,4-thiadiazol-3-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-(5-diisopropoxyphosphoryl-2-imino-1,3,4-thiadiazol-3-yl)-N-hydroxy-benzeneamine oxide CAS Name: 4-[5-di(propan-2-yloxy)phosphoryl-2-imino-1,3,4-thiadiazol-3-yl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[5-di(propan-2-yloxy)phosphoryl-2-imino-1,3,4-thiadiazol-3-yl]-N-hydroxybenzeneamine oxide Traditional Name: 4-(5-diisopropoxyphosphoryl-2-imino-1,3,4-thiadiazol-3-yl)-N-hydroxy-benzeneamine oxide Formula: C14H21N4O5PS MolecularWeight: 388.379101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C1=NN(C(=N)S1)C2=CC=C(C=C2)[NH+](O)[O-])OC(C)C

Isomeric SMILES

CC(C)OP(=O)(C1=NN(C(=N)S1)C2=CC=C(C=C2)[NH+](O)[O-])OC(C)C

InChI

InChI=1S/C14H21N4O5PS/c1-9(2)22-24(21,23-10(3)4)14-16-17(13(15)25-14)11-5-7-12(8-6-11)18(19)20/h5-10,15,18-19H,1-4H3