N-butyl-4-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2,5-thiadiazole-3-carboxamide

Systemtic Name: N-butyl-4-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2,5-thiadiazole-3-carboxamide Openeye Name: N-butyl-4-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2,5-thiadiazole-3-carboxamide CAS Name: N-butyl-4-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2,5-thiadiazole-3-carboxamide IUPAC Name: N-butyl-4-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,5-thiadiazole-3-carboxamide Traditional Name: N-butyl-4-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-1,2,5-thiadiazole-3-carboxamide Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NSNC1=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=NSNC1=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c1-2-3-6-14-13(19)12-11(15-22-16-12)9-7-8(17(20)21)4-5-10(9)18/h4-5,7,15H,2-3,6H2,1H3,(H,14,19)