methyl N'-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: methyl N'-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 3-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea CAS Name: N'-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 3-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea Formula: C9H9BrN4O3S MolecularWeight: 333.16176

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC=C1C=C(C=C(C1=O)Br)[N+](=O)[O-])N

Isomeric SMILES

CS/C(=N/NC=C1C=C(C=C(C1=O)Br)[N+](=O)[O-])/N

InChI

InChI=1S/C9H9BrN4O3S/c1-18-9(11)13-12-4-5-2-6(14(16)17)3-7(10)8(5)15/h2-4,12H,1H3,(H2,11,13)