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

Systemtic Name: 5-[2-(3-azanylpropylamino)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[2-(3-aminopropylamino)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[2-(3-aminopropylamino)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[2-(3-aminopropylamino)-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 5-[2-(3-aminopropylamino)-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3S/c1-8-11(16-17-13(19)22-8)9-4-2-5-10(18(20)21)12(9)15-7-3-6-14/h2,4-5,8,15H,3,6-7,14H2,1H3,(H,17,19)