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

Systemtic Name: N-butan-2-yl-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-pentanamide CAS Name: N-butan-2-yl-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylpentanamide Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-valeramide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O2S/c1-4-19(2)26-24(30)12-8-9-17-32-25-28-27-23(18-20-10-6-5-7-11-20)29(25)21-13-15-22(31-3)16-14-21/h5-7,10-11,13-16,19H,4,8-9,12,17-18H2,1-3H3,(H,26,30)