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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: [(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: [(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: [(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: [(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C8H7ClN4O3S MolecularWeight: 274.68418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClN4O3S/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)