N-[1-[3-(2-butoxy-5-methylsulfonyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]but-3-enyl]propanamide

Systemtic Name: N-[1-[3-(2-butoxy-5-methylsulfonyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]but-3-enyl]propanamide Openeye Name: N-[1-[3-(2-butoxy-5-methylsulfonyl-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]but-3-enyl]propanamide CAS Name: N-[1-[3-(2-butoxy-5-methylsulfonylphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]but-3-enyl]propanamide IUPAC Name: N-[1-[3-(2-butoxy-5-methylsulfonylphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]but-3-enyl]propanamide Traditional Name: N-[1-[3-(2-butoxy-5-mesyl-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]but-3-enyl]propionamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C(=NN2)C(CC=C)NC(=O)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C(=NN2)C(CC=C)NC(=O)CC

InChI

InChI=1S/C21H28N4O5S/c1-5-8-12-30-17-11-10-14(31(4,28)29)13-15(17)20-23-21(27)19(24-25-20)16(9-6-2)22-18(26)7-3/h6,10-11,13,16H,2,5,7-9,12H2,1,3-4H3,(H,22,26)(H,23,25,27)