2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole phosphate

Systemtic Name: 2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole phosphate Openeye Name: 2-(4-chlorophenyl)-5-isopropyl-1,3,4-thiadiazole phosphate CAS Name: 2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole phosphate IUPAC Name: 2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole phosphate Traditional Name: 2-(4-chlorophenyl)-5-isopropyl-1,3,4-thiadiazole phosphate Formula: C11H11ClN2O4PS-3 MolecularWeight: 333.707801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)C2=CC=C(C=C2)Cl.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(C)C1=NN=C(S1)C2=CC=C(C=C2)Cl.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C11H11ClN2S.H3O4P/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;1-5(2,3)4/h3-7H,1-2H3;(H3,1,2,3,4)/p-3