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

Systemtic Name: methyl N-phenyl-N'-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Openeye Name: 2-methyl-1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)isothiourea CAS Name: N-phenyl-N'-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-phenyl-N'-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Traditional Name: 2-methyl-1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)isothiourea Formula: C17H16N4S MolecularWeight: 308.40074

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=NNC(=C1)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CSC(=NC1=NNC(=C1)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C17H16N4S/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/h2-12H,1H3,(H2,18,19,20,21)