S-[(E,1S)-4,4,4-tris(chloranyl)-1-phenyl-but-2-enyl] imidazole-1-carbothioate

Systemtic Name: S-[(E,1S)-4,4,4-tris(chloranyl)-1-phenyl-but-2-enyl] imidazole-1-carbothioate Openeye Name: S-[(E,1S)-4,4,4-trichloro-1-phenyl-but-2-enyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid S-[(E,1S)-4,4,4-trichloro-1-phenylbut-2-enyl] ester IUPAC Name: S-[(E,1S)-4,4,4-trichloro-1-phenylbut-2-enyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid S-[(E,1S)-4,4,4-trichloro-1-phenyl-but-2-enyl] ester Formula: C14H11Cl3N2OS MolecularWeight: 361.67394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C=CC(Cl)(Cl)Cl)SC(=O)N2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](/C=C/C(Cl)(Cl)Cl)SC(=O)N2C=CN=C2

InChI

InChI=1S/C14H11Cl3N2OS/c15-14(16,17)7-6-12(11-4-2-1-3-5-11)21-13(20)19-9-8-18-10-19/h1-10,12H/b7-6+/t12-/m0/s1