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

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine CAS Name: 3-[(4-methylsulfonyl-2-nitrophenyl)thio]-[1,2,4]triazolo[4,3-a]pyridine IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-[1,2,4]triazolo[4,3-a]pyridine Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S2/c1-23(20,21)9-5-6-11(10(8-9)17(18)19)22-13-15-14-12-4-2-3-7-16(12)13/h2-8H,1H3