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

Systemtic Name: [2-[1-(3,4-dichlorophenyl)sulfanyl-2-imidazol-1-yl-ethyl]phenyl] thiocyanate Openeye Name: [2-[1-(3,4-dichlorophenyl)sulfanyl-2-imidazol-1-yl-ethyl]phenyl] thiocyanate CAS Name: thiocyanic acid [2-[1-[(3,4-dichlorophenyl)thio]-2-(1-imidazolyl)ethyl]phenyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)sulfanyl-2-imidazol-1-ylethyl]phenyl] thiocyanate Traditional Name: thiocyanic acid [2-[1-[(3,4-dichlorophenyl)thio]-2-imidazol-1-yl-ethyl]phenyl] ester Formula: C18H13Cl2N3S2 MolecularWeight: 406.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl)SC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl)SC#N

InChI

InChI=1S/C18H13Cl2N3S2/c19-15-6-5-13(9-16(15)20)25-18(10-23-8-7-22-12-23)14-3-1-2-4-17(14)24-11-21/h1-9,12,18H,10H2