5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide CAS Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-valeramide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O2S/c1-35-26-17-15-25(16-18-26)33-27(22-24-12-6-3-7-13-24)31-32-29(33)36-21-9-8-14-28(34)30-20-19-23-10-4-2-5-11-23/h2-7,10-13,15-18H,8-9,14,19-22H2,1H3,(H,30,34)