2-[(E)-1-(1-methyl-5-nitro-imidazol-2-yl)but-1-en-2-yl]-5-propyl-1,3,4-thiadiazole

Systemtic Name: 2-[(E)-1-(1-methyl-5-nitro-imidazol-2-yl)but-1-en-2-yl]-5-propyl-1,3,4-thiadiazole Openeye Name: 2-[(1E)-1-[(1-methyl-5-nitro-imidazol-2-yl)methylene]propyl]-5-propyl-1,3,4-thiadiazole CAS Name: 2-[(E)-1-(1-methyl-5-nitro-2-imidazolyl)but-1-en-2-yl]-5-propyl-1,3,4-thiadiazole IUPAC Name: 2-[(E)-1-(1-methyl-5-nitroimidazol-2-yl)but-1-en-2-yl]-5-propyl-1,3,4-thiadiazole Traditional Name: 2-[(E)-1-ethyl-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]-5-propyl-1,3,4-thiadiazole Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)C(=CC2=NC=C(N2C)[N+](=O)[O-])CC

Isomeric SMILES

CCCC1=NN=C(S1)/C(=C/C2=NC=C(N2C)[N+](=O)[O-])/CC

InChI

InChI=1S/C13H17N5O2S/c1-4-6-11-15-16-13(21-11)9(5-2)7-10-14-8-12(17(10)3)18(19)20/h7-8H,4-6H2,1-3H3/b9-7+