2-(1-adamantylmethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(1-adamantylmethylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(1-adamantylmethylsulfanyl)-1,3-benzothiazole CAS Name: 2-(1-adamantylmethylthio)-1,3-benzothiazole IUPAC Name: 2-(1-adamantylmethylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(1-adamantylmethylthio)-1,3-benzothiazole Formula: C18H21NS2 MolecularWeight: 315.49604

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H21NS2/c1-2-4-16-15(3-1)19-17(21-16)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2