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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

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