N-(6-methylheptan-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-methylheptan-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-methylheptan-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-methylheptan-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(C)CCCC(C)C)C2=CC=NC=C2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(C)CCCC(C)C)C2=CC=NC=C2

InChI

InChI=1S/C20H31N5OS/c1-5-13-25-19(17-9-11-21-12-10-17)23-24-20(25)27-14-18(26)22-16(4)8-6-7-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,26)