2-[2-methyl-3-(pyridin-4-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[2-methyl-3-(pyridin-4-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-(4-pyridylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(pyridin-4-ylthio)methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-(pyridin-4-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(4-pyridylthio)methyl]phenyl]thio]ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=CC=NC=C3

InChI

InChI=1S/C22H22N2O2S2/c1-17-18(16-28-20-10-12-23-13-11-20)6-5-9-21(17)27-15-14-26-22(25)24-19-7-3-2-4-8-19/h2-13H,14-16H2,1H3,(H,24,25)