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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H31ClN4OS/c1-27-22(19-14-8-9-15-20(19)24)25-26-23(27)30-16-21(29)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3