5-chloranyl-2-methylsulfanyl-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one

Systemtic Name: 5-chloranyl-2-methylsulfanyl-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one Openeye Name: 5-chloro-2-methylsulfanyl-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one CAS Name: 5-chloro-2-(methylthio)-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one IUPAC Name: 5-chloro-2-methylsulfanyl-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one Traditional Name: 5-chloro-2-(methylthio)-8-nitro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one Formula: C10H6ClN5O3S MolecularWeight: 311.70434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=NC3=C(C=CC(=C3C(=O)N2N1)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=NC2=NC3=C(C=CC(=C3C(=O)N2N1)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H6ClN5O3S/c1-20-10-13-9-12-7-4(11)2-3-5(16(18)19)6(7)8(17)15(9)14-10/h2-3H,1H3,(H,12,13,14)