2-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine

Systemtic Name: 2-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine Openeye Name: 2-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine CAS Name: 2-[[4-(2-isothiocyanatoethyl)-1-piperazinyl]methyl]-1H-imidazo[4,5-b]pyridine IUPAC Name: 2-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine Traditional Name: 2-[[4-(2-isothiocyanatoethyl)piperazino]methyl]-1H-imidazo[4,5-b]pyridine Formula: C14H18N6S MolecularWeight: 302.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=C=S)CC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

C1CN(CCN1CCN=C=S)CC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C14H18N6S/c21-11-15-4-5-19-6-8-20(9-7-19)10-13-17-12-2-1-3-16-14(12)18-13/h1-3H,4-10H2,(H,16,17,18)