2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-propanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-propanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-propanamide CAS Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]-N,N-diphenylpropanamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylpropanamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-propionamide Formula: C29H29ClN4OS MolecularWeight: 517.08476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC(=CC=C4)Cl)C5CCCCC5

Isomeric SMILES

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC(=CC=C4)Cl)C5CCCCC5

InChI

InChI=1S/C29H29ClN4OS/c1-21(28(35)33(24-15-7-3-8-16-24)25-17-9-4-10-18-25)36-29-32-31-27(22-12-5-2-6-13-22)34(29)26-19-11-14-23(30)20-26/h3-4,7-11,14-22H,2,5-6,12-13H2,1H3