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

Systemtic Name: 5-methyl-1-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-[(4-methylsulfonyl-2-nitrophenyl)thio]-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 1-[(4-mesyl-2-nitro-phenyl)thio]-5-methyl-[1,2,4]triazolo[4,3-a]quinoline Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4S2/c1-11-9-17-19-20-18(21(17)14-6-4-3-5-13(11)14)27-16-8-7-12(28(2,25)26)10-15(16)22(23)24/h3-10H,1-2H3