2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C20H15ClN6OS MolecularWeight: 422.8907

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H15ClN6OS/c21-15-7-9-16(10-8-15)27-18(14-5-2-1-3-6-14)25-26-20(27)29-13-17(28)24-19-22-11-4-12-23-19/h1-12H,13H2,(H,22,23,24,28)