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

Systemtic Name: methyl N'-(furan-2-ylmethyl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamimidothioate Openeye Name: 3-(2-furylmethyl)-1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-isothiourea CAS Name: N'-(2-furanylmethyl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(furan-2-ylmethyl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamimidothioate Traditional Name: 3-(2-furfuryl)-1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-isothiourea Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NN2)NC(=NCC3=CC=CO3)SC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NN2)NC(=NCC3=CC=CO3)SC

InChI

InChI=1S/C17H18N4O2S/c1-22-13-6-3-5-12(9-13)15-10-16(21-20-15)19-17(24-2)18-11-14-7-4-8-23-14/h3-10H,11H2,1-2H3,(H2,18,19,20,21)