2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H11N5O2S/c1-7-11(19)16-13(18-17-7)21-6-10-14-9-5-3-2-4-8(9)12(20)15-10/h2-5H,6H2,1H3,(H,14,15,20)(H,16,18,19)