[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate hydrochloride

Systemtic Name: [3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl ester hydrochloride IUPAC Name: [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate hydrochloride Traditional Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)CSC(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)CSC(=N)N.Cl

InChI

InChI=1S/C19H16N4OS.ClH/c20-19(21)25-12-14-11-23(15-7-2-1-3-8-15)22-18(14)17-10-13-6-4-5-9-16(13)24-17;/h1-11H,12H2,(H3,20,21);1H