3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H30N4OS MolecularWeight: 482.6397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C#N

InChI

InChI=1S/C29H30N4OS/c30-16-23-22-8-4-5-9-25(22)35-28(23)31-27(34)24-17-33(21-6-2-1-3-7-21)32-26(24)29-13-18-10-19(14-29)12-20(11-18)15-29/h1-3,6-7,17-20H,4-5,8-15H2,(H,31,34)