methyl N'-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: methyl N'-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 3-[[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea CAS Name: N'-[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 3-[[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN=C(N)SC)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/N/N=C(\N)/SC)/C=CC1=O

InChI

InChI=1S/C10H13N3O2S/c1-15-9-5-7(3-4-8(9)14)6-12-13-10(11)16-2/h3-6,12H,1-2H3,(H2,11,13)/b7-6+