N-[(4-methylphenyl)methyl]-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Openeye Name: 3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Traditional Name: 3-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)-N-(4-methylbenzyl)propionamide Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCC2=NNC(=S)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCC2=NNC(=S)NC2=O

InChI

InChI=1S/C14H16N4O2S/c1-9-2-4-10(5-3-9)8-15-12(19)7-6-11-13(20)16-14(21)18-17-11/h2-5H,6-8H2,1H3,(H,15,19)(H2,16,18,20,21)