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

Systemtic Name: 5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H12N6O3S2 MolecularWeight: 376.41348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O3S2/c1-2-6-15-13-17-18-14(25-13)24-8-11-16-12(19-23-11)9-4-3-5-10(7-9)20(21)22/h2-5,7H,1,6,8H2,(H,15,17)