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

Systemtic Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-prop-2-enylacetamide IUPAC Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NCC=C)C2=CC=NC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NCC=C)C2=CC=NC=C2

InChI

InChI=1S/C16H21N5OS/c1-3-5-11-21-15(13-6-9-17-10-7-13)19-20-16(21)23-12-14(22)18-8-4-2/h4,6-7,9-10H,2-3,5,8,11-12H2,1H3,(H,18,22)