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

Systemtic Name: N-heptan-2-yl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-methylhexyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-heptan-2-yl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-methylhexyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=NC=C3

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=NC=C3

InChI

InChI=1S/C23H29N5OS/c1-4-5-6-7-18(3)25-21(29)16-30-23-27-26-22(19-12-14-24-15-13-19)28(23)20-10-8-17(2)9-11-20/h8-15,18H,4-7,16H2,1-3H3,(H,25,29)