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

Systemtic Name: methyl N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 2-methyl-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]isothiourea CAS Name: N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC=C1C=C(C=CC1=O)[N+](=O)[O-])N

Isomeric SMILES

CS/C(=N/NC=C1C=C(C=CC1=O)[N+](=O)[O-])/N

InChI

InChI=1S/C9H10N4O3S/c1-17-9(10)12-11-5-6-4-7(13(15)16)2-3-8(6)14/h2-5,11H,1H3,(H2,10,12)