S-tert-butyl 2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carbothioate

Systemtic Name: S-tert-butyl 2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carbothioate Openeye Name: S-tert-butyl 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carbothioate CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-3-pyridinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carbothioate Traditional Name: 2-(2-besylethylthio)pyridine-3-carbothioic acid S-tert-butyl ester Formula: C18H21NO3S3 MolecularWeight: 395.55924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1=C(N=CC=C1)SCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SC(=O)C1=C(N=CC=C1)SCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S3/c1-18(2,3)24-17(20)15-10-7-11-19-16(15)23-12-13-25(21,22)14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3