5-methyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline

Systemtic Name: 5-methyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-[1,2,4]triazolo[4,3-a]quinoline Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S2/c1-15-13-21-23-24-22(26(21)18-8-4-3-7-17(15)18)32-20-10-9-16(14-19(20)27(28)29)33(30,31)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3