S-pyridin-2-yl 2-methyl-5-nitro-benzenecarbothioate

Systemtic Name: S-pyridin-2-yl 2-methyl-5-nitro-benzenecarbothioate Openeye Name: S-(2-pyridyl) 2-methyl-5-nitro-benzenecarbothioate CAS Name: 2-methyl-5-nitrobenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 2-methyl-5-nitrobenzenecarbothioate Traditional Name: 2-methyl-5-nitro-thiobenzoic acid S-(2-pyridyl) ester Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)SC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)SC2=CC=CC=N2

InChI

InChI=1S/C13H10N2O3S/c1-9-5-6-10(15(17)18)8-11(9)13(16)19-12-4-2-3-7-14-12/h2-8H,1H3