methyl N-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-N'-(furan-2-ylmethyl)carbamimidothioate

Systemtic Name: methyl N-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-N'-(furan-2-ylmethyl)carbamimidothioate Openeye Name: 1-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-3-(2-furylmethyl)-2-methyl-isothiourea CAS Name: N-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-N'-(2-furanylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-N'-(furan-2-ylmethyl)carbamimidothioate Traditional Name: 1-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-3-(2-furfuryl)-2-methyl-isothiourea Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-23-12-6-7-14(16(9-12)24-2)15-10-17(22-21-15)20-18(26-3)19-11-13-5-4-8-25-13/h4-10H,11H2,1-3H3,(H2,19,20,21,22)