[2-[1-[(3,4-dichlorophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]phenyl] thiocyanate

Systemtic Name: [2-[1-[(3,4-dichlorophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]phenyl] thiocyanate Openeye Name: [2-[1-[(3,4-dichlorophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]phenyl] thiocyanate CAS Name: thiocyanic acid [2-[1-[(3,4-dichlorophenyl)methylthio]-2-(1-imidazolyl)ethyl]phenyl] ester IUPAC Name: [2-[1-[(3,4-dichlorophenyl)methylsulfanyl]-2-imidazol-1-ylethyl]phenyl] thiocyanate Traditional Name: thiocyanic acid [2-[1-[(3,4-dichlorobenzyl)thio]-2-imidazol-1-yl-ethyl]phenyl] ester Formula: C19H15Cl2N3S2 MolecularWeight: 420.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CN2C=CN=C2)SCC3=CC(=C(C=C3)Cl)Cl)SC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(CN2C=CN=C2)SCC3=CC(=C(C=C3)Cl)Cl)SC#N

InChI

InChI=1S/C19H15Cl2N3S2/c20-16-6-5-14(9-17(16)21)11-25-19(10-24-8-7-23-13-24)15-3-1-2-4-18(15)26-12-22/h1-9,13,19H,10-11H2