N-(2-phenylsulfanyloxyethyl)-2-pyridin-3-yl-N-sulfanyl-ethanethioamide

Systemtic Name: N-(2-phenylsulfanyloxyethyl)-2-pyridin-3-yl-N-sulfanyl-ethanethioamide Openeye Name: N-(2-phenylsulfanyloxyethyl)-2-(3-pyridyl)-N-sulfanyl-thioacetamide CAS Name: benzenesulfenic acid 2-[mercapto-[2-(3-pyridinyl)-1-sulfanylideneethyl]amino]ethyl ester IUPAC Name: N-(2-phenylsulfanyloxyethyl)-2-pyridin-3-yl-N-sulfanylethanethioamide Traditional Name: N-mercapto-N-[2-(phenylthio)oxyethyl]-2-(3-pyridyl)thioacetamide Formula: C15H16N2OS3 MolecularWeight: 336.49534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SOCCN(C(=S)CC2=CN=CC=C2)S

Isomeric SMILES

C1=CC=C(C=C1)SOCCN(C(=S)CC2=CN=CC=C2)S

InChI

InChI=1S/C15H16N2OS3/c19-15(11-13-5-4-8-16-12-13)17(20)9-10-18-21-14-6-2-1-3-7-14/h1-8,12,20H,9-11H2