4-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 4-methyl-2-(m-tolylmethylsulfanyl)-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 4-methyl-2-[(3-methylphenyl)methylthio]-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 4-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 4-methyl-2-[(3-methylbenzyl)thio]-N-phenethyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC(CC(C)CCC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC=NN4

Isomeric SMILES

CC1=CC(=CC=C1)CSC(CC(C)CCC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC=NN4

InChI

InChI=1S/C31H36N4OS/c1-24-10-9-15-28(20-24)22-37-29(21-25(2)16-17-26-11-5-3-6-12-26)30(36)35(31-32-23-33-34-31)19-18-27-13-7-4-8-14-27/h3-15,20,23,25,29H,16-19,21-22H2,1-2H3,(H,32,33,34)