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

Systemtic Name: N-cyclohexyl-4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-butanamide CAS Name: N-cyclohexyl-4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylbutanamide Traditional Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-butyramide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-32-23-16-14-22(15-17-23)30-24(19-20-9-4-2-5-10-20)28-29-26(30)33-18-8-13-25(31)27-21-11-6-3-7-12-21/h2,4-5,9-10,14-17,21H,3,6-8,11-13,18-19H2,1H3,(H,27,31)