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

Systemtic Name: N-phenethyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5OS/c30-22(26-16-11-19-7-3-1-4-8-19)18-31-24-28-27-23(21-12-14-25-15-13-21)29(24)17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2,(H,26,30)