2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,3-benzoxazole

Systemtic Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,3-benzoxazole Openeye Name: 2-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,3-benzoxazole CAS Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]-1,3-benzoxazole IUPAC Name: 2-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,3-benzoxazole Traditional Name: 2-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-1,3-benzoxazole Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC2=NC3=CC=CC=C3O2)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCC2=NC3=CC=CC=C3O2)C4=CC=NC=C4

InChI

InChI=1S/C19H19N5OS/c1-2-24-18(14-9-11-20-12-10-14)22-23-19(24)26-13-5-8-17-21-15-6-3-4-7-16(15)25-17/h3-4,6-7,9-12H,2,5,8,13H2,1H3