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

Systemtic Name: 5-ethyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-1,3-thiazol-3-ium Openeye Name: 5-ethyl-4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium CAS Name: 5-ethyl-4-methyl-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-3-oxidothiazol-3-ium IUPAC Name: 5-ethyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-1,3-thiazol-3-ium Traditional Name: 5-ethyl-4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=C(S1)C=CC2=CC=C(O2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCC1=C([N+](=C(S1)/C=C/C2=CC=C(O2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C12H12N2O4S/c1-3-10-8(2)13(15)12(19-10)7-5-9-4-6-11(18-9)14(16)17/h4-7H,3H2,1-2H3/b7-5+