O-propan-2-yl [2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(4-nitrophenyl)-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-(4-nitrophenyl)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(4-nitrophenyl)ethyl]thio]methanethioic acid O-isopropyl ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4S2/c1-8(2)17-12(18)19-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8H,7H2,1-2H3