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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-(phenethylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-o-anisyl-2-(phenethylthio)-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=CC=C1OC)C2=NC=NN2)SCCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)N(CC1=CC=CC=C1OC)C2=NC=NN2)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-3-9-21(30-15-14-18-10-5-4-6-11-18)22(28)27(23-24-17-25-26-23)16-19-12-7-8-13-20(19)29-2/h4-8,10-13,17,21H,3,9,14-16H2,1-2H3,(H,24,25,26)