5-isothiocyanato-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-[6-(4-methylpiperazino)-3-pyridyl]-1,3-benzoxazole Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)N=C=S

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)N=C=S

InChI

InChI=1S/C18H17N5OS/c1-22-6-8-23(9-7-22)17-5-2-13(11-19-17)18-21-15-10-14(20-12-25)3-4-16(15)24-18/h2-5,10-11H,6-9H2,1H3