2-[3-(1H-imidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[3-(1H-imidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[3-(1H-imidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[3-[(1H-imidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl ester IUPAC Name: 2-[3-(1H-imidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[3-[(1H-imidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=NC=CN3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CSC3=NC=CN3

InChI

InChI=1S/C20H21N3O2S2/c1-15-16(14-27-19-21-10-11-22-19)6-5-9-18(15)26-13-12-25-20(24)23-17-7-3-2-4-8-17/h2-11H,12-14H2,1H3,(H,21,22)(H,23,24)