N-(4-butylphenyl)-2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-2-3-7-15-10-12-17(13-11-15)22-18(26)14-28-21-23-20(27)19(24-25-21)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,22,26)(H,23,25,27)