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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14(2)16-10-8-15(9-11-16)12-18-20(27)23-21(25-24-18)28-13-19(26)22-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,25,27)