2-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]-5-tridecyl-1,3,4-thiadiazole

Systemtic Name: 2-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]-5-tridecyl-1,3,4-thiadiazole Openeye Name: 2-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]-5-tridecyl-1,3,4-thiadiazole CAS Name: 2-[(E)-2-(1-methyl-5-nitro-2-imidazolyl)ethenyl]-5-tridecyl-1,3,4-thiadiazole IUPAC Name: 2-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-5-tridecyl-1,3,4-thiadiazole Traditional Name: 2-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]-5-tridecyl-1,3,4-thiadiazole Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(S1)C=CC2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(S1)/C=C/C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-23-24-20(29-19)16-15-18-22-17-21(25(18)2)26(27)28/h15-17H,3-14H2,1-2H3/b16-15+