methyl N'-ethyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate

Systemtic Name: methyl N'-ethyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Openeye Name: 3-ethyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea CAS Name: N'-ethyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-ethyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Traditional Name: 3-ethyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=NNC(=C1)C2=CC=CC=C2)SC

Isomeric SMILES

CCN=C(NC1=NNC(=C1)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H16N4S/c1-3-14-13(18-2)15-12-9-11(16-17-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,14,15,16,17)