2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-dibenzofuran-2-yl-ethanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-dibenzofuran-2-yl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-dibenzofuran-2-yl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-dibenzofuranyl)acetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-dibenzofuran-2-ylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-dibenzofuran-2-yl-acetamide Formula: C22H15ClN4O2S MolecularWeight: 434.8981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)NC(=O)CSC4=NN=CN4C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)NC(=O)CSC4=NN=CN4C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H15ClN4O2S/c23-14-4-3-5-16(10-14)27-13-24-26-22(27)30-12-21(28)25-15-8-9-20-18(11-15)17-6-1-2-7-19(17)29-20/h1-11,13H,12H2,(H,25,28)