methyl N'-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxidanylidene-pyrazol-3-ylidene]-oxidanyl-methyl]carbamimidothioate

Systemtic Name: methyl N'-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxidanylidene-pyrazol-3-ylidene]-oxidanyl-methyl]carbamimidothioate Openeye Name: 3-[(Z)-(5-ethyl-4-oxo-2-tetrahydropyran-2-yl-pyrazol-3-ylidene)-hydroxy-methyl]-2-methyl-isothiourea CAS Name: N'-[(Z)-[5-ethyl-2-(2-oxanyl)-4-oxo-3-pyrazolylidene]-hydroxymethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(Z)-[5-ethyl-2-(oxan-2-yl)-4-oxopyrazol-3-ylidene]-hydroxymethyl]carbamimidothioate Traditional Name: 3-[(Z)-(5-ethyl-4-keto-2-tetrahydropyran-2-yl-2-pyrazolin-3-ylidene)-hydroxy-methyl]-2-methyl-isothiourea Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(N=C(N)SC)O)C1=O)C2CCCCO2

Isomeric SMILES

CCC1=NN(/C(=C(/N=C(\N)/SC)\O)/C1=O)C2CCCCO2

InChI

InChI=1S/C13H20N4O3S/c1-3-8-11(18)10(12(19)15-13(14)21-2)17(16-8)9-6-4-5-7-20-9/h9,19H,3-7H2,1-2H3,(H2,14,15)/b12-10-