N-[1-(1,3-benzoxazol-2-ylsulfanyl)-2,2,2-tris(chloranyl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[1-(1,3-benzoxazol-2-ylsulfanyl)-2,2,2-tris(chloranyl)ethyl]-4-methyl-benzamide Openeye Name: N-[1-(1,3-benzoxazol-2-ylsulfanyl)-2,2,2-trichloro-ethyl]-4-methyl-benzamide CAS Name: N-[1-(1,3-benzoxazol-2-ylthio)-2,2,2-trichloroethyl]-4-methylbenzamide IUPAC Name: N-[1-(1,3-benzoxazol-2-ylsulfanyl)-2,2,2-trichloroethyl]-4-methylbenzamide Traditional Name: N-[1-(1,3-benzoxazol-2-ylthio)-2,2,2-trichloro-ethyl]-4-methyl-benzamide Formula: C17H13Cl3N2O2S MolecularWeight: 415.72132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13Cl3N2O2S/c1-10-6-8-11(9-7-10)14(23)22-15(17(18,19)20)25-16-21-12-4-2-3-5-13(12)24-16/h2-9,15H,1H3,(H,22,23)