2-[2-methyl-3-[(2-methylsulfinylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[2-methyl-3-[(2-methylsulfinylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-[(2-methylsulfinylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-methylsulfinyl-1-imidazolyl)methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-[(2-methylsulfinylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-methylsulfinylimidazol-1-yl)methyl]phenyl]thio]ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3S(=O)C

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3S(=O)C

InChI

InChI=1S/C21H23N3O3S2/c1-16-17(15-24-12-11-22-20(24)29(2)26)7-6-10-19(16)28-14-13-27-21(25)23-18-8-4-3-5-9-18/h3-12H,13-15H2,1-2H3,(H,23,25)