S-(4-methylphenyl) N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate

Systemtic Name: S-(4-methylphenyl) N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate Openeye Name: S-(p-tolyl) N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate CAS Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate Traditional Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]thiocarbamic acid S-(p-tolyl) ester Formula: C16H11ClF3NO3S MolecularWeight: 389.77665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H11ClF3NO3S/c1-9-2-5-11(6-3-9)25-14(22)21-16(15(18,19)20)23-12-7-4-10(17)8-13(12)24-16/h2-8H,1H3,(H,21,22)