1-[[(Z)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-[[(Z)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Openeye Name: [[(Z)-(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea CAS Name: [[(Z)-(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea IUPAC Name: [[(Z)-(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Traditional Name: [[(Z)-(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Formula: C8H7BrN4O3S MolecularWeight: 319.13518

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=CNNC(=S)N)[N+](=O)[O-])Br

Isomeric SMILES

C\1=C(C=C(C(=O)/C1=C\NNC(=S)N)[N+](=O)[O-])Br

InChI

InChI=1S/C8H7BrN4O3S/c9-5-1-4(3-11-12-8(10)17)7(14)6(2-5)13(15)16/h1-3,11H,(H3,10,12,17)/b4-3-