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

Systemtic Name: 2-[2-methyl-3-[(2-nitroimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-[(2-nitroimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-nitro-1-imidazolyl)methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-[(2-nitroimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-nitroimidazol-1-yl)methyl]phenyl]thio]ethyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-15-16(14-23-11-10-21-19(23)24(26)27)6-5-9-18(15)29-13-12-28-20(25)22-17-7-3-2-4-8-17/h2-11H,12-14H2,1H3,(H,22,25)