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

Systemtic Name: prop-2-enyl N'-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 2-allyl-3-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea CAS Name: N'-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 2-allyl-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCS/C(=N\N/C=C/1\C=C(C=CC1=O)[N+](=O)[O-])/N

InChI

InChI=1S/C11H12N4O3S/c1-2-5-19-11(12)14-13-7-8-6-9(15(17)18)3-4-10(8)16/h2-4,6-7,13H,1,5H2,(H2,12,14)/b8-7+