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

Systemtic Name: N-[(3-methylphenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide Openeye Name: N-(m-tolylmethylsulfanyl)-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propyl-pentanamide CAS Name: N-[(3-methylphenyl)methylthio]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide IUPAC Name: N-[(3-methylphenyl)methylsulfanyl]-4-(4-phenethyl-1,2,4-triazol-3-yl)-N-propylpentanamide Traditional Name: N-[(3-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(=C3)C

Isomeric SMILES

CCCN(C(=O)CCC(C)C1=NN=CN1CCC2=CC=CC=C2)SCC3=CC=CC(=C3)C

InChI

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