5-[(4-nitrophenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-nitrophenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-nitrophenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-nitrophenyl)methylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-nitrophenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S2/c1-2-7-13-11-14-15-12(20-11)19-8-9-3-5-10(6-4-9)16(17)18/h3-6H,2,7-8H2,1H3,(H,13,14)