1-adamantyl-[3-azanyl-4-(4-chlorophenyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]methanone

Systemtic Name: 1-adamantyl-[3-azanyl-4-(4-chlorophenyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-4-(4-chlorophenyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-4-(4-chlorophenyl)-6-methyl-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 1-adamantyl-[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-4-(4-chlorophenyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]methanone Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)Cl)C(=C(S2)C(=O)C45CC6CC(C4)CC(C6)C5)N

Isomeric SMILES

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)Cl)C(=C(S2)C(=O)C45CC6CC(C4)CC(C6)C5)N

InChI

InChI=1S/C25H25ClN2OS/c1-13-6-19(17-2-4-18(26)5-3-17)20-21(27)22(30-24(20)28-13)23(29)25-10-14-7-15(11-25)9-16(8-14)12-25/h2-6,14-16H,7-12,27H2,1H3