2-[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methylphenyl]thio]ethyl ester IUPAC Name: 2-[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methylphenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[3-(2,3-dihydrobenzotriazol-1-ylmethyl)-2-methyl-phenyl]thio]ethyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C4=CC=CC=C4NN3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C4=CC=CC=C4NN3

InChI

InChI=1S/C23H24N4O2S/c1-17-18(16-27-21-12-6-5-11-20(21)25-26-27)8-7-13-22(17)30-15-14-29-23(28)24-19-9-3-2-4-10-19/h2-13,25-26H,14-16H2,1H3,(H,24,28)