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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S2/c1-3-6-14-12-15-16-13(22-12)21-8-9-7-10(17(18)19)4-5-11(9)20-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)