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

Systemtic Name: 5-[4-(3-azanylpropyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[4-(3-aminopropyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[4-(3-aminopropyl)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[4-(3-aminopropyl)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 5-[4-(3-aminopropyl)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-8-12(15-16-13(18)21-8)10-5-4-9(3-2-6-14)11(7-10)17(19)20/h4-5,7-8H,2-3,6,14H2,1H3,(H,16,18)