5-di(propan-2-yloxy)phosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazole-2,2-diamine

Systemtic Name: 5-di(propan-2-yloxy)phosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazole-2,2-diamine Openeye Name: 5-diisopropoxyphosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazole-2,2-diamine CAS Name: 5-di(propan-2-yloxy)phosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazole-2,2-diamine IUPAC Name: 5-di(propan-2-yloxy)phosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazole-2,2-diamine Traditional Name: [2-amino-5-diisopropoxyphosphoryl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]amine Formula: C14H22N5O5PS MolecularWeight: 403.393741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N5O5PS/c1-9(2)23-25(22,24-10(3)4)13-17-18(14(15,16)26-13)11-5-7-12(8-6-11)19(20)21/h5-10H,15-16H2,1-4H3