N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C23H27N5OS/c29-22(20-9-5-2-6-10-20)25-15-21-26-27-23(30-17-19-11-13-24-14-12-19)28(21)16-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2,(H,25,29)