5-[3-[[5-(phenylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]propyl]-1H-imidazole

Systemtic Name: 5-[3-[[5-(phenylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]propyl]-1H-imidazole Openeye Name: 5-[3-[(5-benzyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]propyl]-1H-imidazole CAS Name: 5-[3-[[5-(phenylmethyl)-4,5-dihydro-1H-imidazol-2-yl]thio]propyl]-1H-imidazole IUPAC Name: 5-[3-[(5-benzyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]propyl]-1H-imidazole Traditional Name: 5-[3-[(4-benzyl-2-imidazolin-2-yl)thio]propyl]-1H-imidazole Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=N1)SCCCC2=CN=CN2)CC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=N1)SCCCC2=CN=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4S/c1-2-5-13(6-3-1)9-15-11-18-16(20-15)21-8-4-7-14-10-17-12-19-14/h1-3,5-6,10,12,15H,4,7-9,11H2,(H,17,19)(H,18,20)