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

Systemtic Name: 5-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-[1,2,4]triazolo[4,3-a]quinoline Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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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)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S2/c1-14-12-20-22-23-21(25(20)17-7-3-2-6-16(14)17)31-19-9-8-15(13-18(19)26(27)28)32(29,30)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3