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

Systemtic Name: methyl N'-cyclohexyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Openeye Name: 3-cyclohexyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea CAS Name: N'-cyclohexyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-cyclohexyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Traditional Name: 3-cyclohexyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCC1)NC2=NNC(=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=NC1CCCCC1)NC2=NNC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4S/c1-22-17(18-14-10-6-3-7-11-14)19-16-12-15(20-21-16)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,18,19,20,21)