5-[4-(2-azanylethyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

Systemtic Name: 5-[4-(2-azanylethyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[4-(2-aminoethyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[4-(2-aminoethyl)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[4-(2-aminoethyl)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 5-[4-(2-aminoethyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C12H14N4O3S MolecularWeight: 294.32956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NNC(=O)S1)C2=CC(=C(C=C2)CCN)[N+](=O)[O-]

Isomeric SMILES

CC1C(=NNC(=O)S1)C2=CC(=C(C=C2)CCN)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-7-11(14-15-12(17)20-7)9-3-2-8(4-5-13)10(6-9)16(18)19/h2-3,6-7H,4-5,13H2,1H3,(H,15,17)