N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(o-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-p-anisyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC3=CC=CC=C3C

Isomeric SMILES

CCCC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC3=CC=CC=C3C

InChI

InChI=1S/C23H28N4O2S/c1-4-7-21(30-15-19-9-6-5-8-17(19)2)22(28)27(23-24-16-25-26-23)14-18-10-12-20(29-3)13-11-18/h5-6,8-13,16,21H,4,7,14-15H2,1-3H3,(H,24,25,26)