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

Systemtic Name: 4-azanyl-6-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-6-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-one CAS Name: 4-amino-6-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-7-11(19)16(13)12(15-14-7)22-6-10(18)8-2-4-9(5-3-8)17(20)21/h2-5H,6,13H2,1H3