[4-(2-imidazol-1-yl-2-phenylsulfanyl-ethyl)phenyl] thiocyanate

Systemtic Name: [4-(2-imidazol-1-yl-2-phenylsulfanyl-ethyl)phenyl] thiocyanate Openeye Name: [4-(2-imidazol-1-yl-2-phenylsulfanyl-ethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[2-(1-imidazolyl)-2-(phenylthio)ethyl]phenyl] ester IUPAC Name: [4-(2-imidazol-1-yl-2-phenylsulfanylethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[2-imidazol-1-yl-2-(phenylthio)ethyl]phenyl] ester Formula: C18H15N3S2 MolecularWeight: 337.4618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)SC#N)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)SC#N)N3C=CN=C3

InChI

InChI=1S/C18H15N3S2/c19-13-22-16-8-6-15(7-9-16)12-18(21-11-10-20-14-21)23-17-4-2-1-3-5-17/h1-11,14,18H,12H2