methyl N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N'-(oxolan-2-ylmethyl)carbamimidothioate

Systemtic Name: methyl N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N'-(oxolan-2-ylmethyl)carbamimidothioate Openeye Name: 1-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-(tetrahydrofuran-2-ylmethyl)isothiourea CAS Name: N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N'-(2-oxolanylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N'-(oxolan-2-ylmethyl)carbamimidothioate Traditional Name: 1-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-(tetrahydrofurfuryl)isothiourea Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NN2)NC(=NCC3CCCO3)SC

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NN2)NC(=NCC3CCCO3)SC

InChI

InChI=1S/C17H22N4O2S/c1-22-15-8-4-3-7-13(15)14-10-16(21-20-14)19-17(24-2)18-11-12-6-5-9-23-12/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,18,19,20,21)