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

Systemtic Name: 2-[2-methyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-pyrimidinylthio)methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-pyrimidylthio)methyl]phenyl]thio]ethyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C21H21N3O2S2/c1-16-17(15-28-20-22-11-6-12-23-20)7-5-10-19(16)27-14-13-26-21(25)24-18-8-3-2-4-9-18/h2-12H,13-15H2,1H3,(H,24,25)