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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C28H33ClN4OS MolecularWeight: 509.10582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H33ClN4OS/c29-22-18-16-21(17-19-22)27-30-31-28(33(27)25-14-8-3-9-15-25)35-20-26(34)32(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h3,8-9,14-19,23-24H,1-2,4-7,10-13,20H2