N-(2,2-dimethylpropyl)-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-amine

Systemtic Name: N-(2,2-dimethylpropyl)-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-amine Openeye Name: N-(2,2-dimethylpropyl)-2-(3-pyridylmethylsulfanyl)-1,3-benzoxazol-5-amine CAS Name: N-(2,2-dimethylpropyl)-2-(3-pyridinylmethylthio)-1,3-benzoxazol-5-amine IUPAC Name: N-(2,2-dimethylpropyl)-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-amine Traditional Name: neopentyl-[2-(3-pyridylmethylthio)-1,3-benzoxazol-5-yl]amine Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CC2=C(C=C1)OC(=N2)SCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CNC1=CC2=C(C=C1)OC(=N2)SCC3=CN=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-18(2,3)12-20-14-6-7-16-15(9-14)21-17(22-16)23-11-13-5-4-8-19-10-13/h4-10,20H,11-12H2,1-3H3