N-(2-adamantyl)-5-(1-benzothiophen-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-5-(1-benzothiophen-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-5-(benzothiophen-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-5-(1-benzothiophen-2-yl)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(1-benzothiophen-2-yl)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-5-(benzothiophen-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C24H27N3OS/c1-13-21(24(28)25-22-17-8-14-7-15(10-17)11-18(22)9-14)26-27(2)23(13)20-12-16-5-3-4-6-19(16)29-20/h3-6,12,14-15,17-18,22H,7-11H2,1-2H3,(H,25,28)