1-butyl-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-butyl-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C12H15ClN4O3S MolecularWeight: 330.7905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC(=S)NNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN4O3S/c1-2-3-4-14-12(21)16-15-7-8-5-9(13)6-10(11(8)18)17(19)20/h5-7,15H,2-4H2,1H3,(H2,14,16,21)