4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide Openeye Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide CAS Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide Traditional Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide Formula: C12H12N4O3S MolecularWeight: 292.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c17-11(9-5-7(6-13-9)16(18)19)15-12-14-8-3-1-2-4-10(8)20-12/h5-6,13H,1-4H2,(H,14,15,17)