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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea Formula: C19H16N4OS MolecularWeight: 348.42154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4OS/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)