3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]adamantane-1-carboxamide Formula: C27H26BrN5OS MolecularWeight: 548.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

InChI

InChI=1S/C27H26BrN5OS/c1-16-2-7-21-22(8-16)35-23(31-21)19-3-5-20(6-4-19)30-24(34)26-10-17-9-18(11-26)13-27(12-17,14-26)33-15-29-25(28)32-33/h2-8,15,17-18H,9-14H2,1H3,(H,30,34)