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

Systemtic Name: N-ethyl-5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H12N6O3S2 MolecularWeight: 364.40278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3S2/c1-2-14-12-16-17-13(24-12)23-7-10-15-11(18-22-10)8-3-5-9(6-4-8)19(20)21/h3-6H,2,7H2,1H3,(H,14,16)