2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=NC=C5

InChI

InChI=1S/C18H15N5OS/c1-2-4-15-14(3-1)20-16(24-15)11-25-18-22-21-17(23(18)13-5-6-13)12-7-9-19-10-8-12/h1-4,7-10,13H,5-6,11H2