[6-(2-adamantyliminomethyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone

Systemtic Name: [6-(2-adamantyliminomethyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone Openeye Name: [6-(2-adamantyliminomethyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone CAS Name: [6-(2-adamantyliminomethyl)-3-amino-2-thieno[2,3-b]pyridinyl]-(4-bromophenyl)methanone IUPAC Name: [6-(2-adamantyliminomethyl)-3-aminothieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone Traditional Name: [6-(2-adamantyliminomethyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone Formula: C25H24BrN3OS MolecularWeight: 494.44656

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N=CC4=NC5=C(C=C4)C(=C(S5)C(=O)C6=CC=C(C=C6)Br)N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N=CC4=NC5=C(C=C4)C(=C(S5)C(=O)C6=CC=C(C=C6)Br)N

InChI

InChI=1S/C25H24BrN3OS/c26-18-3-1-15(2-4-18)23(30)24-21(27)20-6-5-19(29-25(20)31-24)12-28-22-16-8-13-7-14(10-16)11-17(22)9-13/h1-6,12-14,16-17,22H,7-11,27H2