N-(3-methylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl]oxy-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl]oxy-ethanamide Openeye Name: 2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-pyran-3-yl]oxy-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-pyranyl]oxy]acetamide IUPAC Name: N-(3-methylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl]oxyacetamide Traditional Name: 2-[4-keto-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-3-yl]oxy-N-(m-tolyl)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC2=COC(=CC2=O)CSC3=NN=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC2=COC(=CC2=O)CSC3=NN=CN3C

InChI

InChI=1S/C18H18N4O4S/c1-12-4-3-5-13(6-12)20-17(24)9-26-16-8-25-14(7-15(16)23)10-27-18-21-19-11-22(18)2/h3-8,11H,9-10H2,1-2H3,(H,20,24)