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

Systemtic Name: N-butyl-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-butyl-acetamide CAS Name: N-butyl-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-butylacetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-2-3-11-22-18(26)15-27-20-24-23-19(17-9-12-21-13-10-17)25(20)14-16-7-5-4-6-8-16/h4-10,12-13H,2-3,11,14-15H2,1H3,(H,22,26)