5-butyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-1,3-thiazol-3-ium

Systemtic Name: 5-butyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-1,3-thiazol-3-ium Openeye Name: 5-butyl-4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium CAS Name: 5-butyl-4-methyl-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-3-oxidothiazol-3-ium IUPAC Name: 5-butyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-1,3-thiazol-3-ium Traditional Name: 5-butyl-4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=C(S1)C=CC2=CC=C(O2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCCCC1=C([N+](=C(S1)/C=C/C2=CC=C(O2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C14H16N2O4S/c1-3-4-5-12-10(2)15(17)14(21-12)9-7-11-6-8-13(20-11)16(18)19/h6-9H,3-5H2,1-2H3/b9-7+