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

Systemtic Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCOC)C2=CC=NC=C2

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCOC)C2=CC=NC=C2

InChI

InChI=1S/C19H29N5O2S/c1-4-5-6-7-15(2)21-17(25)14-27-19-23-22-18(24(19)12-13-26-3)16-8-10-20-11-9-16/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,25)