7-azanyl-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-azanyl-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-6-nitro-2-phenethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c14-11-10(18(20)21)12(19)17-13(15-11)22-9(16-17)7-6-8-4-2-1-3-5-8/h1-5H,6-7,14H2