2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole

Systemtic Name: 2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole Openeye Name: 2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole CAS Name: 2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole IUPAC Name: 2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole Traditional Name: 2-(4-isothiocyanatobenzyl)-1H-imidazole Formula: C11H9N3S MolecularWeight: 215.27426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC=CN2)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CC2=NC=CN2)N=C=S

InChI

InChI=1S/C11H9N3S/c15-8-14-10-3-1-9(2-4-10)7-11-12-5-6-13-11/h1-6H,7H2,(H,12,13)