O-[(E,2R)-1,1,1-tris(chloranyl)-4-phenyl-but-3-en-2-yl] imidazole-1-carbothioate

Systemtic Name: O-[(E,2R)-1,1,1-tris(chloranyl)-4-phenyl-but-3-en-2-yl] imidazole-1-carbothioate Openeye Name: O-[(E,1R)-3-phenyl-1-(trichloromethyl)allyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(E,2R)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] ester IUPAC Name: O-[(E,2R)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(E,1R)-3-phenyl-1-(trichloromethyl)allyl] ester Formula: C14H11Cl3N2OS MolecularWeight: 361.67394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(Cl)(Cl)Cl)OC(=S)N2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/[C@H](C(Cl)(Cl)Cl)OC(=S)N2C=CN=C2

InChI

InChI=1S/C14H11Cl3N2OS/c15-14(16,17)12(7-6-11-4-2-1-3-5-11)20-13(21)19-9-8-18-10-19/h1-10,12H/b7-6+/t12-/m1/s1