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

Systemtic Name: N-cyclohexyl-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-cyclohexyl-pentanamide CAS Name: N-cyclohexyl-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-cyclohexylpentanamide Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-valeramide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-33-24-17-15-23(16-18-24)31-25(20-21-10-4-2-5-11-21)29-30-27(31)34-19-9-8-14-26(32)28-22-12-6-3-7-13-22/h2,4-5,10-11,15-18,22H,3,6-9,12-14,19-20H2,1H3,(H,28,32)