[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H20N4O2S/c1-24-16-9-8-13(10-17(16)25-2)18-14(12-26-19(20)21)11-23(22-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H3,20,21)