6-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=NC1=O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c1-7-11(18)13-12(15-14-7)21-6-10(17)8-2-4-9(5-3-8)16(19)20/h2-5H,6H2,1H3,(H,13,15,18)