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

Systemtic Name: 1-[[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Openeye Name: [[(Z)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea CAS Name: [[(Z)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]thiourea IUPAC Name: [[(Z)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Traditional Name: [[(Z)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Formula: C8H8N4O3S MolecularWeight: 240.23912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CNNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4O3S/c9-8(16)11-10-4-5-1-2-7(13)6(3-5)12(14)15/h1-4,10H,(H3,9,11,16)/b5-4-