[[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]carbonylamino]carbamodithioic acid

Systemtic Name: [[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]carbonylamino]carbamodithioic acid Openeye Name: [[5-(benzofuran-2-yl)-1-phenyl-pyrazole-3-carbonyl]amino]carbamodithioic acid CAS Name: [[[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-oxomethyl]amino]carbamodithioic acid IUPAC Name: [[5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbonyl]amino]carbamodithioic acid Traditional Name: [[5-(benzofuran-2-yl)-1-phenyl-pyrazole-3-carbonyl]amino]carbamodithioic acid Formula: C19H14N4O2S2 MolecularWeight: 394.47006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NNC(=S)S)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NNC(=S)S)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H14N4O2S2/c24-18(20-21-19(26)27)14-11-15(23(22-14)13-7-2-1-3-8-13)17-10-12-6-4-5-9-16(12)25-17/h1-11H,(H,20,24)(H2,21,26,27)