2-[2-(4-isothiocyanatophenyl)ethyl]-4,5-dihydro-1H-imidazole

Systemtic Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4,5-dihydro-1H-imidazole Openeye Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4,5-dihydro-1H-imidazole CAS Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4,5-dihydro-1H-imidazole IUPAC Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4,5-dihydro-1H-imidazole Traditional Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-2-imidazoline Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CCC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CN=C(N1)CCC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C12H13N3S/c16-9-15-11-4-1-10(2-5-11)3-6-12-13-7-8-14-12/h1-2,4-5H,3,6-8H2,(H,13,14)