N-(2-phenylbutyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-phenylbutyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylbutyl)propanamide CAS Name: N-(2-phenylbutyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylbutyl)propanamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylbutyl)propionamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(CNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5OS/c1-3-22(23-12-8-5-9-13-23)18-29-26(33)20(2)34-27-31-30-25(24-14-16-28-17-15-24)32(27)19-21-10-6-4-7-11-21/h4-17,20,22H,3,18-19H2,1-2H3,(H,29,33)