N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C16H12N4O5S MolecularWeight: 372.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C

InChI

InChI=1S/C16H12N4O5S/c1-9-3-4-13-14(5-9)26-16(18(13)2)17-15(21)10-6-11(19(22)23)8-12(7-10)20(24)25/h3-8H,1-2H3