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

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-4-25-20(16-9-8-10-17(22)13-16)23-24-21(25)28-14-19(27)26(15(2)3)18-11-6-5-7-12-18/h5-13,15H,4,14H2,1-3H3