2-(1-adamantylmethylsulfanyl)-5-chloranyl-1,3-benzoxazole

Systemtic Name: 2-(1-adamantylmethylsulfanyl)-5-chloranyl-1,3-benzoxazole Openeye Name: 2-(1-adamantylmethylsulfanyl)-5-chloro-1,3-benzoxazole CAS Name: 2-(1-adamantylmethylthio)-5-chloro-1,3-benzoxazole IUPAC Name: 2-(1-adamantylmethylsulfanyl)-5-chloro-1,3-benzoxazole Traditional Name: 2-(1-adamantylmethylthio)-5-chloro-1,3-benzoxazole Formula: C18H20ClNOS MolecularWeight: 333.8755

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CSC4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CSC4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C18H20ClNOS/c19-14-1-2-16-15(6-14)20-17(21-16)22-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2