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

Systemtic Name: N-[(2-methylphenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide Openeye Name: N-(o-tolylmethylsulfanyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide CAS Name: N-[(2-methylphenyl)methylthio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide IUPAC Name: N-[(2-methylphenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide Traditional Name: N-[(2-methylbenzyl)thio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-valeramide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)CCC(C)C1=NN=CN1CCC2=CC=CC=C2)SCC3=CC=CC=C3C

Isomeric SMILES

CCCN(C(=O)CCC(C)C1=NN=CN1CCC2=CC=CC=C2)SCC3=CC=CC=C3C

InChI

InChI=1S/C26H34N4OS/c1-4-17-30(32-19-24-13-9-8-10-21(24)2)25(31)15-14-22(3)26-28-27-20-29(26)18-16-23-11-6-5-7-12-23/h5-13,20,22H,4,14-19H2,1-3H3