1-(5-nitro-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)imidazol-2-imine

Systemtic Name: 1-(5-nitro-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)imidazol-2-imine Openeye Name: 1-(5-nitrothiazol-2-yl)-3-(1-piperidylmethyl)imidazol-2-imine CAS Name: 1-(5-nitro-2-thiazolyl)-3-(1-piperidinylmethyl)-2-imidazolimine IUPAC Name: 1-(5-nitro-1,3-thiazol-2-yl)-3-(piperidin-1-ylmethyl)imidazol-2-imine Traditional Name: [1-(5-nitrothiazol-2-yl)-3-(piperidinomethyl)-4-imidazolin-2-ylidene]amine Formula: C12H16N6O2S MolecularWeight: 308.35944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C=CN(C2=N)C3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CN2C=CN(C2=N)C3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O2S/c13-11-16(9-15-4-2-1-3-5-15)6-7-17(11)12-14-8-10(21-12)18(19)20/h6-8,13H,1-5,9H2