2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-3-14-12-15-16-13(22-12)21-7-11(18)9-5-4-8(2)10(6-9)17(19)20/h4-6H,3,7H2,1-2H3,(H,14,15)