N-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-4-(4-phenethyl-1,2,4-triazol-3-yl)pentanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSN(CCC2=CC=CC=C2)C(=O)CCC(C)C3=NN=CN3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSN(CCC2=CC=CC=C2)C(=O)CCC(C)C3=NN=CN3CCC4=CC=CC=C4

InChI

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