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

Systemtic Name: methyl N'-(phenylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Openeye Name: 3-benzyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea CAS Name: N'-(phenylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Traditional Name: 3-benzyl-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)NC2=NNC(=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)NC2=NNC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4S/c1-23-18(19-13-14-8-4-2-5-9-14)20-17-12-16(21-22-17)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H2,19,20,21,22)