3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol Openeye Name: 3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol CAS Name: 3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-propanol IUPAC Name: 3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol Traditional Name: 3-[[5-(2,4-dinitrophenyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol Formula: C11H11N5O5S MolecularWeight: 325.30054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NN=C(S2)NCCCO

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NN=C(S2)NCCCO

InChI

InChI=1S/C11H11N5O5S/c17-5-1-4-12-11-14-13-10(22-11)8-3-2-7(15(18)19)6-9(8)16(20)21/h2-3,6,17H,1,4-5H2,(H,12,14)