5-(2,4-dinitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2,4-dinitrophenyl)thio]-N-(2-oxolanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-yl]-(tetrahydrofurfuryl)amine Formula: C13H13N5O5S2 MolecularWeight: 383.40282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5S2/c19-17(20)8-3-4-11(10(6-8)18(21)22)24-13-16-15-12(25-13)14-7-9-2-1-5-23-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)