S-[3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-ethylamino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylamino]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-3-keto-2-methyl-propyl] ester Formula: C13H20ClN3O4S2 MolecularWeight: 381.8986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C(C)CSC(=O)C)S(=O)(=O)C1=C(N(N=C1C)C)Cl

Isomeric SMILES

CCN(C(=O)C(C)CSC(=O)C)S(=O)(=O)C1=C(N(N=C1C)C)Cl

InChI

InChI=1S/C13H20ClN3O4S2/c1-6-17(13(19)8(2)7-22-10(4)18)23(20,21)11-9(3)15-16(5)12(11)14/h8H,6-7H2,1-5H3