3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C28H28N4OS/c1-17-7-8-23-24(9-17)34-27(29-23)30-26(33)22-16-32(21-5-3-2-4-6-21)31-25(22)28-13-18-10-19(14-28)12-20(11-18)15-28/h2-9,16,18-20H,10-15H2,1H3,(H,29,30,33)