5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]amine Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NN=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NN=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3S/c10-9-12-11-8(17-9)5-16-7-3-1-2-6(4-7)13(14)15/h1-4H,5H2,(H2,10,12)