7-chloranyl-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-chloranyl-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-chloro-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-chloro-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-chloro-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-chloro-2-(3,3-dimethylbutyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C11H13ClN4O3S MolecularWeight: 316.76392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=NN2C(=O)C(=C(N=C2S1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CCC1=NN2C(=O)C(=C(N=C2S1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN4O3S/c1-11(2,3)5-4-6-14-15-9(17)7(16(18)19)8(12)13-10(15)20-6/h4-5H2,1-3H3