[2-(1-chloranyl-2-imidazol-1-yl-ethyl)phenyl] thiocyanate

Systemtic Name: [2-(1-chloranyl-2-imidazol-1-yl-ethyl)phenyl] thiocyanate Openeye Name: [2-(1-chloro-2-imidazol-1-yl-ethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [2-[1-chloro-2-(1-imidazolyl)ethyl]phenyl] ester IUPAC Name: [2-(1-chloro-2-imidazol-1-ylethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [2-(1-chloro-2-imidazol-1-yl-ethyl)phenyl] ester Formula: C12H10ClN3S MolecularWeight: 263.7459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CN2C=CN=C2)Cl)SC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(CN2C=CN=C2)Cl)SC#N

InChI

InChI=1S/C12H10ClN3S/c13-11(7-16-6-5-15-9-16)10-3-1-2-4-12(10)17-8-14/h1-6,9,11H,7H2