O-propan-2-yl [1-[(4-chloranyl-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [1-[(4-chloranyl-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-(4-chloro-2-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[1-(4-chloro-2-nitroanilino)-1-oxopropan-2-yl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [1-(4-chloro-2-nitroanilino)-1-oxopropan-2-yl]sulfanylmethanethioate Traditional Name: [[2-(4-chloro-2-nitro-anilino)-2-keto-1-methyl-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C13H15ClN2O4S2 MolecularWeight: 362.8522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SC(C)C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SC(C)C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O4S2/c1-7(2)20-13(21)22-8(3)12(17)15-10-5-4-9(14)6-11(10)16(18)19/h4-8H,1-3H3,(H,15,17)